1-[(3,5-dimethylphenyl)methyl]indazol-6-amine

C16H17N3 — CID 54911286

IUPAC1-[(3,5-dimethylphenyl)methyl]indazol-6-amine
SMILESCc1cc(C)cc(Cn2ncc3ccc(N)cc32)c1
InChIInChI=1S/C16H17N3/c1-11-5-12(2)7-13(6-11)10-19-16-8-15(17)4-3-14(16)9-18-19/h3-9H,10,17H2,1-2H3
InChIKeyMDSVNQQBZXWYBO-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.28
Rot. Bonds2

About 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine

1-[(3,5-dimethylphenyl)methyl]indazol-6-amine (PubChem CID 54911286) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]indazol-6-amine
PubChem CID54911286
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-[(3,5-dimethylphenyl)methyl]indazol-6-amine
SMILESCc1cc(C)cc(Cn2ncc3ccc(N)cc32)c1
InChIInChI=1S/C16H17N3/c1-11-5-12(2)7-13(6-11)10-19-16-8-15(17)4-3-14(16)9-18-19/h3-9H,10,17H2,1-2H3
InChIKeyMDSVNQQBZXWYBO-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine (CID 54911286) is 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine is Cc1cc(C)cc(Cn2ncc3ccc(N)cc32)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine?
The InChIKey is MDSVNQQBZXWYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-5-12(2)7-13(6-11)10-19-16-8-15(17)4-3-14(16)9-18-19/h3-9H,10,17H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine?
1-[(3,5-dimethylphenyl)methyl]indazol-6-amine has a molecular weight of 251.33 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]indazol-6-amine is sourced from PubChem (CID 54911286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).