2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine

C9H12N2 — CID 66579617

IUPAC2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine
SMILESC1=CC2=C(C=NC1)CNCC2
InChIInChI=1S/C9H12N2/c1-2-8-3-5-11-7-9(8)6-10-4-1/h1-2,6,11H,3-5,7H2
InChIKeyLCYHZTRSLLMGME-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.92
Rot. Bonds

About 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine

2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine (PubChem CID 66579617) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine.

Molecular Properties

Compound Name2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine
PubChem CID66579617
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine
SMILESC1=CC2=C(C=NC1)CNCC2
InChIInChI=1S/C9H12N2/c1-2-8-3-5-11-7-9(8)6-10-4-1/h1-2,6,11H,3-5,7H2
InChIKeyLCYHZTRSLLMGME-UHFFFAOYSA-N
XLogP0.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine?
The IUPAC name of 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine (CID 66579617) is 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine.
What is the SMILES notation for 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine?
The canonical SMILES for 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine is C1=CC2=C(C=NC1)CNCC2.
What is the InChIKey of 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine?
The InChIKey is LCYHZTRSLLMGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-8-3-5-11-7-9(8)6-10-4-1/h1-2,6,11H,3-5,7H2.
What are the key properties of 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine?
2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine has a molecular weight of 148.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine is sourced from PubChem (CID 66579617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).