10aH-[1,2,4]triazolo[4,3-a][1]benzazepine

C11H9N3 — CID 77165220

IUPAC10aH-[1,2,4]triazolo[4,3-a][1]benzazepine
SMILESC1=CC2=CC=Cc3nncn3C2C=C1
InChIInChI=1S/C11H9N3/c1-2-6-10-9(4-1)5-3-7-11-13-12-8-14(10)11/h1-8,10H
InChIKeyQLOLKQURULYMRS-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.90
Rot. Bonds

About 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine

10aH-[1,2,4]triazolo[4,3-a][1]benzazepine (PubChem CID 77165220) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine.

Molecular Properties

Compound Name10aH-[1,2,4]triazolo[4,3-a][1]benzazepine
PubChem CID77165220
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name10aH-[1,2,4]triazolo[4,3-a][1]benzazepine
SMILESC1=CC2=CC=Cc3nncn3C2C=C1
InChIInChI=1S/C11H9N3/c1-2-6-10-9(4-1)5-3-7-11-13-12-8-14(10)11/h1-8,10H
InChIKeyQLOLKQURULYMRS-UHFFFAOYSA-N
XLogP1.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine?
The IUPAC name of 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine (CID 77165220) is 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine.
What is the SMILES notation for 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine?
The canonical SMILES for 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine is C1=CC2=CC=Cc3nncn3C2C=C1.
What is the InChIKey of 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine?
The InChIKey is QLOLKQURULYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c1-2-6-10-9(4-1)5-3-7-11-13-12-8-14(10)11/h1-8,10H.
What are the key properties of 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine?
10aH-[1,2,4]triazolo[4,3-a][1]benzazepine has a molecular weight of 183.21 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10aH-[1,2,4]triazolo[4,3-a][1]benzazepine is sourced from PubChem (CID 77165220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).