3-methyl-8H-imidazo[4,5-b]azepine

C8H9N3 — CID 143478204

IUPAC3-methyl-8H-imidazo[4,5-b]azepine
SMILESCn1cnc2c1N=CC=CC2
InChIInChI=1S/C8H9N3/c1-11-6-10-7-4-2-3-5-9-8(7)11/h2-3,5-6H,4H2,1H3
InChIKeyPJDJBMPLEGHEIO-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.23
Rot. Bonds

About 3-methyl-8H-imidazo[4,5-b]azepine

3-methyl-8H-imidazo[4,5-b]azepine (PubChem CID 143478204) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 3-methyl-8H-imidazo[4,5-b]azepine.

Molecular Properties

Compound Name3-methyl-8H-imidazo[4,5-b]azepine
PubChem CID143478204
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name3-methyl-8H-imidazo[4,5-b]azepine
SMILESCn1cnc2c1N=CC=CC2
InChIInChI=1S/C8H9N3/c1-11-6-10-7-4-2-3-5-9-8(7)11/h2-3,5-6H,4H2,1H3
InChIKeyPJDJBMPLEGHEIO-UHFFFAOYSA-N
XLogP1.23
TPSA30.18 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 ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8H-imidazo[4,5-b]azepine?
The IUPAC name of 3-methyl-8H-imidazo[4,5-b]azepine (CID 143478204) is 3-methyl-8H-imidazo[4,5-b]azepine.
What is the SMILES notation for 3-methyl-8H-imidazo[4,5-b]azepine?
The canonical SMILES for 3-methyl-8H-imidazo[4,5-b]azepine is Cn1cnc2c1N=CC=CC2.
What is the InChIKey of 3-methyl-8H-imidazo[4,5-b]azepine?
The InChIKey is PJDJBMPLEGHEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-11-6-10-7-4-2-3-5-9-8(7)11/h2-3,5-6H,4H2,1H3.
What are the key properties of 3-methyl-8H-imidazo[4,5-b]azepine?
3-methyl-8H-imidazo[4,5-b]azepine has a molecular weight of 147.18 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8H-imidazo[4,5-b]azepine is sourced from PubChem (CID 143478204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).