8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine

C8H9N3 — CID 143465989

IUPAC8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine
SMILESCC1=Cc2nncn2C=CC1
InChIInChI=1S/C8H9N3/c1-7-3-2-4-11-6-9-10-8(11)5-7/h2,4-6H,3H2,1H3
InChIKeyQJGDWCXHXUIQAX-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.56
Rot. Bonds

About 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine

8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine (PubChem CID 143465989) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine.

Molecular Properties

Compound Name8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine
PubChem CID143465989
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine
SMILESCC1=Cc2nncn2C=CC1
InChIInChI=1S/C8H9N3/c1-7-3-2-4-11-6-9-10-8(11)5-7/h2,4-6H,3H2,1H3
InChIKeyQJGDWCXHXUIQAX-UHFFFAOYSA-N
XLogP1.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(trifluoromethyl)-5H-[1,2,4]triazolo[4,3-a]azepine
CID 130374007
7-Fluoro-7-methyl-[1,2,4]triazolo[1,5-a]azepine
CID 130428247
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
3-methyl-4-[(1Z)-3-methylbuta-1,3-dienyl]-1,2,4-triazole
CID 89145136
9H-[1,2,4]triazolo[4,3-a]azepine
CID 91201848

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine?
The IUPAC name of 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine (CID 143465989) is 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine.
What is the SMILES notation for 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine?
The canonical SMILES for 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine is CC1=Cc2nncn2C=CC1.
What is the InChIKey of 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine?
The InChIKey is QJGDWCXHXUIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-7-3-2-4-11-6-9-10-8(11)5-7/h2,4-6H,3H2,1H3.
What are the key properties of 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine?
8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine has a molecular weight of 147.18 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7H-[1,2,4]triazolo[4,3-a]azepine is sourced from PubChem (CID 143465989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).