5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine

C12H16N4 — CID 105470234

IUPAC5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine
SMILESCc1ccc(-c2nnn(C(C)C)c2N)cc1
InChIInChI=1S/C12H16N4/c1-8(2)16-12(13)11(14-15-16)10-6-4-9(3)5-7-10/h4-8H,13H2,1-3H3
InChIKeySTCLNVPWULAWKD-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.42
Rot. Bonds2

About 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine

5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine (PubChem CID 105470234) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine
PubChem CID105470234
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine
SMILESCc1ccc(-c2nnn(C(C)C)c2N)cc1
InChIInChI=1S/C12H16N4/c1-8(2)16-12(13)11(14-15-16)10-6-4-9(3)5-7-10/h4-8H,13H2,1-3H3
InChIKeySTCLNVPWULAWKD-UHFFFAOYSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylphenyl)-3-propan-2-yltriazol-4-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 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine?
The IUPAC name of 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine (CID 105470234) is 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine.
What is the SMILES notation for 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine?
The canonical SMILES for 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine is Cc1ccc(-c2nnn(C(C)C)c2N)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine?
The InChIKey is STCLNVPWULAWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-8(2)16-12(13)11(14-15-16)10-6-4-9(3)5-7-10/h4-8H,13H2,1-3H3.
What are the key properties of 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine?
5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine has a molecular weight of 216.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-propan-2-yltriazol-4-amine is sourced from PubChem (CID 105470234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).