Details of the Drug

General Information of Drug (ID: DM2W0AD)

Drug Name

5-p-Tolyl-1H-[1,2,3]triazole

Synonyms

4-(p-Tolyl)-1H-1,2,3-triazole; 5301-96-2; 4-(p-Tolyl)-2H-1,2,3-triazole; 5-(4-methylphenyl)-1H-1,2,3-triazole; 1H-1,2,3-Triazole, 4-(4-methylphenyl)-; 4-(4-methylphenyl)-2H-triazole; 5-(p-Tolyl)-1H-1,2,3-triazole; 59066-81-8; v-Triazole, 4-p-tolyl-; AC1LC4W8; SCHEMBL20848; 1,2,3-triazole analogue, 3; CHEMBL193610; CTK1G1560; BDBM17447; DTXSID60344093; ZPCIKQLLQORQCV-UHFFFAOYSA-N; MolPort-023-332-536; 4-p-tolyl-1H-1,2,3-triazole; ZINC13671868; ANW-65599; AKOS015907809; FCH4165656; KS-0000101Z; SC-23256; AJ-64294; AK-90097

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

159.19

Logarithm of the Partition Coefficient (xlogp)

1.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C9H9N3
IUPAC Name: 4-(4-methylphenyl)-2H-triazole
Canonical SMILES: CC1=CC=C(C=C1)C2=NNN=C2
InChI: InChI=1S/C9H9N3/c1-7-2-4-8(5-3-7)9-6-10-12-11-9/h2-6H,1H3,(H,10,11,12)
InChIKey: ZPCIKQLLQORQCV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 594397
CAS Number: 29385-43-1
TTD ID: D02ADV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Methionine aminopeptidase 2 (METAP2)	TTZL0OI	MAP2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	4-Aryl-1,2,3-triazole: a novel template for a reversible methionine aminopeptidase 2 inhibitor, optimized to inhibit angiogenesis in vivo. J Med Chem. 2005 Sep 8;48(18):5644-7.