N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine

C16H17N3 — CID 43790642

IUPACN-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
SMILESCc1ccc(CNc2ccc3cn[nH]c3c2)cc1C
InChIInChI=1S/C16H17N3/c1-11-3-4-13(7-12(11)2)9-17-15-6-5-14-10-18-19-16(14)8-15/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyAHOKZULHOLYHBS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.79
Rot. Bonds3

About N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine

N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine (PubChem CID 43790642) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
PubChem CID43790642
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
SMILESCc1ccc(CNc2ccc3cn[nH]c3c2)cc1C
InChIInChI=1S/C16H17N3/c1-11-3-4-13(7-12(11)2)9-17-15-6-5-14-10-18-19-16(14)8-15/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyAHOKZULHOLYHBS-UHFFFAOYSA-N
XLogP3.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-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 N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine (CID 43790642) is N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine is Cc1ccc(CNc2ccc3cn[nH]c3c2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine?
The InChIKey is AHOKZULHOLYHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-3-4-13(7-12(11)2)9-17-15-6-5-14-10-18-19-16(14)8-15/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine?
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine has a molecular weight of 251.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine is sourced from PubChem (CID 43790642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).