1-benzylindazol-7-amine

C14H13N3 — CID 67337594

IUPAC1-benzylindazol-7-amine
SMILESNc1cccc2cnn(Cc3ccccc3)c12
InChIInChI=1S/C14H13N3/c15-13-8-4-7-12-9-16-17(14(12)13)10-11-5-2-1-3-6-11/h1-9H,10,15H2
InChIKeyOHSDMQKEMBBQIP-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.67
Rot. Bonds2

About 1-benzylindazol-7-amine

1-benzylindazol-7-amine (PubChem CID 67337594) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-benzylindazol-7-amine.

Molecular Properties

Compound Name1-benzylindazol-7-amine
PubChem CID67337594
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-benzylindazol-7-amine
SMILESNc1cccc2cnn(Cc3ccccc3)c12
InChIInChI=1S/C14H13N3/c15-13-8-4-7-12-9-16-17(14(12)13)10-11-5-2-1-3-6-11/h1-9H,10,15H2
InChIKeyOHSDMQKEMBBQIP-UHFFFAOYSA-N
XLogP2.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-benzylindazol-7-amine 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-benzylindazol-7-amine?
The IUPAC name of 1-benzylindazol-7-amine (CID 67337594) is 1-benzylindazol-7-amine.
What is the SMILES notation for 1-benzylindazol-7-amine?
The canonical SMILES for 1-benzylindazol-7-amine is Nc1cccc2cnn(Cc3ccccc3)c12.
What is the InChIKey of 1-benzylindazol-7-amine?
The InChIKey is OHSDMQKEMBBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c15-13-8-4-7-12-9-16-17(14(12)13)10-11-5-2-1-3-6-11/h1-9H,10,15H2.
What are the key properties of 1-benzylindazol-7-amine?
1-benzylindazol-7-amine has a molecular weight of 223.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylindazol-7-amine is sourced from PubChem (CID 67337594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).