3-methyl-3H-pyrido[4,3-b]azepine

C10H10N2 — CID 143696572

IUPAC3-methyl-3H-pyrido[4,3-b]azepine
SMILESCC1C=Cc2cnccc2N=C1
InChIInChI=1S/C10H10N2/c1-8-2-3-9-7-11-5-4-10(9)12-6-8/h2-8H,1H3
InChIKeyXENXUZHFNMOVQU-UHFFFAOYSA-N
MW158.20 g/mol
LogP2.45
Rot. Bonds

About 3-methyl-3H-pyrido[4,3-b]azepine

3-methyl-3H-pyrido[4,3-b]azepine (PubChem CID 143696572) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-methyl-3H-pyrido[4,3-b]azepine.

Molecular Properties

Compound Name3-methyl-3H-pyrido[4,3-b]azepine
PubChem CID143696572
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name3-methyl-3H-pyrido[4,3-b]azepine
SMILESCC1C=Cc2cnccc2N=C1
InChIInChI=1S/C10H10N2/c1-8-2-3-9-7-11-5-4-10(9)12-6-8/h2-8H,1H3
InChIKeyXENXUZHFNMOVQU-UHFFFAOYSA-N
XLogP2.45
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-pyrido[4,3-b]azepine?
The IUPAC name of 3-methyl-3H-pyrido[4,3-b]azepine (CID 143696572) is 3-methyl-3H-pyrido[4,3-b]azepine.
What is the SMILES notation for 3-methyl-3H-pyrido[4,3-b]azepine?
The canonical SMILES for 3-methyl-3H-pyrido[4,3-b]azepine is CC1C=Cc2cnccc2N=C1.
What is the InChIKey of 3-methyl-3H-pyrido[4,3-b]azepine?
The InChIKey is XENXUZHFNMOVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-2-3-9-7-11-5-4-10(9)12-6-8/h2-8H,1H3.
What are the key properties of 3-methyl-3H-pyrido[4,3-b]azepine?
3-methyl-3H-pyrido[4,3-b]azepine has a molecular weight of 158.20 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-pyrido[4,3-b]azepine is sourced from PubChem (CID 143696572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).