1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile

C17H13N3 — CID 70078210

IUPAC1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile
SMILESN#Cc1cc2c3ccccc3nc-2c2c(n1)CCCC2
InChIInChI=1S/C17H13N3/c18-10-11-9-14-12-5-1-3-7-15(12)20-17(14)13-6-2-4-8-16(13)19-11/h1,3,5,7,9H,2,4,6,8H2
InChIKeyMBFKFWYWZMRGNT-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.49
Rot. Bonds

About 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile

1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile (PubChem CID 70078210) has the molecular formula C17H13N3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile.

Molecular Properties

Compound Name1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile
PubChem CID70078210
Molecular FormulaC17H13N3
Molecular Weight259.31 g/mol
Exact Mass259.11
IUPAC Name1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile
SMILESN#Cc1cc2c3ccccc3nc-2c2c(n1)CCCC2
InChIInChI=1S/C17H13N3/c18-10-11-9-14-12-5-1-3-7-15(12)20-17(14)13-6-2-4-8-16(13)19-11/h1,3,5,7,9H,2,4,6,8H2
InChIKeyMBFKFWYWZMRGNT-UHFFFAOYSA-N
XLogP3.49
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile 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 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile?
The IUPAC name of 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile (CID 70078210) is 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile.
What is the SMILES notation for 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile?
The canonical SMILES for 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile is N#Cc1cc2c3ccccc3nc-2c2c(n1)CCCC2.
What is the InChIKey of 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile?
The InChIKey is MBFKFWYWZMRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3/c18-10-11-9-14-12-5-1-3-7-15(12)20-17(14)13-6-2-4-8-16(13)19-11/h1,3,5,7,9H,2,4,6,8H2.
What are the key properties of 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile?
1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile has a molecular weight of 259.31 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroindolo[3,2-d][1]benzazepine-6-carbonitrile is sourced from PubChem (CID 70078210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).