5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine

C10H8N4 — CID 123744564

IUPAC5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine
SMILESC1=CC2=Cn3cnnc3C=NC2C=C1
InChIInChI=1S/C10H8N4/c1-2-4-9-8(3-1)6-14-7-12-13-10(14)5-11-9/h1-7,9H
InChIKeyJBSHLSRBTQNFII-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.05
Rot. Bonds

About 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine

5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine (PubChem CID 123744564) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine.

Molecular Properties

Compound Name5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine
PubChem CID123744564
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine
SMILESC1=CC2=Cn3cnnc3C=NC2C=C1
InChIInChI=1S/C10H8N4/c1-2-4-9-8(3-1)6-14-7-12-13-10(14)5-11-9/h1-7,9H
InChIKeyJBSHLSRBTQNFII-UHFFFAOYSA-N
XLogP1.05
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

13-Methyl-4,5,7,13-tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10-pentaene
CID 57209093
10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 57468574
CID 59806670
CID 59806670
CID 59806673
CID 59806673
10aH-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine;hydrochloride
CID 67370161
10aH-[1,2,4]triazolo[4,3-a][1]benzazepine
CID 77165220
5H-[1,2,4]triazolo[1,5-c][3]benzazepine
CID 88439719
5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
CID 88558971
4,6,7,11-Tetrazatricyclo[8.3.0.03,7]trideca-1,3,5,8,10,12-hexaene
CID 139686403
8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine
CID 143465989
6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine
CID 143498487
4-Methyl-1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
CID 143498503

Frequently Asked Questions

What is the IUPAC name of 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine?
The IUPAC name of 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine (CID 123744564) is 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine.
What is the SMILES notation for 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine?
The canonical SMILES for 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine is C1=CC2=Cn3cnnc3C=NC2C=C1.
What is the InChIKey of 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine?
The InChIKey is JBSHLSRBTQNFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-9-8(3-1)6-14-7-12-13-10(14)5-11-9/h1-7,9H.
What are the key properties of 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine?
5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine has a molecular weight of 184.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5aH-[1,2,4]triazolo[3,4-c][1,4]benzodiazepine is sourced from PubChem (CID 123744564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).