N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

C17H18N4 — CID 103981456

IUPACN-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H18N4/c1-2-4-15-12(3-1)10-18-8-7-16(15)20-14-6-5-13-11-19-21-17(13)9-14/h1-6,9,11,16,18,20H,7-8,10H2,(H,19,21)
InChIKeyICANKTBHXPBNEE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.21
Rot. Bonds2

About N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine

N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (PubChem CID 103981456) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
PubChem CID103981456
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC NameN-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
SMILESc1ccc2c(c1)CNCCC2Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H18N4/c1-2-4-15-12(3-1)10-18-8-7-16(15)20-14-6-5-13-11-19-21-17(13)9-14/h1-6,9,11,16,18,20H,7-8,10H2,(H,19,21)
InChIKeyICANKTBHXPBNEE-UHFFFAOYSA-N
XLogP3.21
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(1H-pyrazol-4-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 113361432
N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980493
N-pyrimidin-5-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 107588061
N-(3-bromophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980512
N-pyridin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980336
N-(6-methoxy-3-pyridinyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980315
4-(1H-indazol-6-yl)-1,2,3,4-tetrahydroisoquinoline
CID 68996719
N-(4-phenylcyclohexyl)-1H-indazol-6-amine
CID 2847039
N-(1H-indazol-6-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078553
N-thiophen-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982407
N-(3-fluoro-5-methylphenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103982414
N-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980517

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The IUPAC name of N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine (CID 103981456) is N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine.
What is the SMILES notation for N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The canonical SMILES for N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is c1ccc2c(c1)CNCCC2Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
The InChIKey is ICANKTBHXPBNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-2-4-15-12(3-1)10-18-8-7-16(15)20-14-6-5-13-11-19-21-17(13)9-14/h1-6,9,11,16,18,20H,7-8,10H2,(H,19,21).
What are the key properties of N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine?
N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine has a molecular weight of 278.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine is sourced from PubChem (CID 103981456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).