6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine

C8H9N3 — CID 143498487

IUPAC6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine
SMILESCC1=Cn2ncnc2CC=C1
InChIInChI=1S/C8H9N3/c1-7-3-2-4-8-9-6-10-11(8)5-7/h2-3,5-6H,4H2,1H3
InChIKeyVULHSNWCERAECA-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.25
Rot. Bonds

About 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine

6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine (PubChem CID 143498487) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine.

Molecular Properties

Compound Name6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine
PubChem CID143498487
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine
SMILESCC1=Cn2ncnc2CC=C1
InChIInChI=1S/C8H9N3/c1-7-3-2-4-8-9-6-10-11(8)5-7/h2-3,5-6H,4H2,1H3
InChIKeyVULHSNWCERAECA-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-Fluoro-7-methyl-[1,2,4]triazolo[1,5-a]azepine
CID 130428247
(1E)-1-[2-[(E)-(2,5-dimethyl-1,2,4-triazol-3-yl)iminomethyl]cyclopenta-2,4-dien-1-ylidene]-N,N-dimethylmethanamine
CID 11128512
9H-[1,2,4]triazolo[1,5-a]azepine
CID 57200916
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
iridium;3-(1-methyl-1,2,4-triazol-3-yl)-2H-pyridin-2-ide
CID 57746218
CID 59806670
CID 59806670
CID 59806673
CID 59806673
5-Cyclohexa-1,5-dien-1-yl-1-propan-2-yl-1,2,4-triazole
CID 66886607
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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine?
The IUPAC name of 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine (CID 143498487) is 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine.
What is the SMILES notation for 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine?
The canonical SMILES for 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine is CC1=Cn2ncnc2CC=C1.
What is the InChIKey of 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine?
The InChIKey is VULHSNWCERAECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-7-3-2-4-8-9-6-10-11(8)5-7/h2-3,5-6H,4H2,1H3.
What are the key properties of 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine?
6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine has a molecular weight of 147.18 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9H-[1,2,4]triazolo[1,5-a]azepine is sourced from PubChem (CID 143498487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).