9H-[1,2,4]triazolo[4,3-a]azepine

C7H7N3 — CID 91201848

IUPAC9H-[1,2,4]triazolo[4,3-a]azepine
SMILESC1=CCc2nncn2C=C1
InChIInChI=1S/C7H7N3/c1-2-4-7-9-8-6-10(7)5-3-1/h1-3,5-6H,4H2
InChIKeyCAZNRAHJQGOZHS-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.86
Rot. Bonds

About 9H-[1,2,4]triazolo[4,3-a]azepine

9H-[1,2,4]triazolo[4,3-a]azepine (PubChem CID 91201848) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 9H-[1,2,4]triazolo[4,3-a]azepine.

Molecular Properties

Compound Name9H-[1,2,4]triazolo[4,3-a]azepine
PubChem CID91201848
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name9H-[1,2,4]triazolo[4,3-a]azepine
SMILESC1=CCc2nncn2C=C1
InChIInChI=1S/C7H7N3/c1-2-4-7-9-8-6-10(7)5-3-1/h1-3,5-6H,4H2
InChIKeyCAZNRAHJQGOZHS-UHFFFAOYSA-N
XLogP0.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7H-[1,2,4]triazolo[4,3-a][1,4]diazepine
CID 54002540
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
9H-[1,2,4]triazolo[4,3-a]azepin-9-amine
CID 91240957
6,9-dihydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 91527987
7,8-Dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 118369185
5,8-Dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 118369191
3-Ethyl-4-prop-1-enyl-1,2,4-triazole
CID 124014672
3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1,2,4-triazole
CID 132185214
7,7-Dimethyl-[1,2,4]triazolo[4,3-a]azepine
CID 134515466
7H-pyrrolo[1,2-b][1,2,4]triazole
CID 139833631
7H-pyrrolo[2,1-c][1,2,4]triazole
CID 139833633

Frequently Asked Questions

What is the IUPAC name of 9H-[1,2,4]triazolo[4,3-a]azepine?
The IUPAC name of 9H-[1,2,4]triazolo[4,3-a]azepine (CID 91201848) is 9H-[1,2,4]triazolo[4,3-a]azepine.
What is the SMILES notation for 9H-[1,2,4]triazolo[4,3-a]azepine?
The canonical SMILES for 9H-[1,2,4]triazolo[4,3-a]azepine is C1=CCc2nncn2C=C1.
What is the InChIKey of 9H-[1,2,4]triazolo[4,3-a]azepine?
The InChIKey is CAZNRAHJQGOZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-4-7-9-8-6-10(7)5-3-1/h1-3,5-6H,4H2.
What are the key properties of 9H-[1,2,4]triazolo[4,3-a]azepine?
9H-[1,2,4]triazolo[4,3-a]azepine has a molecular weight of 133.15 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-[1,2,4]triazolo[4,3-a]azepine is sourced from PubChem (CID 91201848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).