| Drug Name |
Pyrido[1,2,4]triazolo[4,3-a]pyrazine derivative 1
|
| Synonyms |
PMID27321640-Compound-54 |
| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
309.75 |
|
| Logarithm of the Partition Coefficient (xlogp) |
3.8 |
| Rotatable Bond Count (rotbonds) |
1 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C16H12ClN5
- IUPAC Name
3-(2-chloro-6-methylphenyl)-7-methyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene - Canonical SMILES
-
CC1=C(C(=CC=C1)Cl)C2=NN=C3N2C4=C(N=CC=C4)N=C3C
- InChI
-
InChI=1S/C16H12ClN5/c1-9-5-3-6-11(17)13(9)16-21-20-15-10(2)19-14-12(22(15)16)7-4-8-18-14/h3-8H,1-2H3
- InChIKey
-
GBABEYRPJLOPCN-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 71295288
- TTD ID
- D0Z4IA
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