1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine

C13H18N4 — CID 79501310

IUPAC1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1cccc(C)c1C
InChIInChI=1S/C13H18N4/c1-4-6-12-13(14)15-16-17(12)11-8-5-7-9(2)10(11)3/h5,7-8H,4,6,14H2,1-3H3
InChIKeyFNXIVVUUWFAASQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.42
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine

1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine (PubChem CID 79501310) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine
PubChem CID79501310
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1-c1cccc(C)c1C
InChIInChI=1S/C13H18N4/c1-4-6-12-13(14)15-16-17(12)11-8-5-7-9(2)10(11)3/h5,7-8H,4,6,14H2,1-3H3
InChIKeyFNXIVVUUWFAASQ-UHFFFAOYSA-N
XLogP2.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dimethylphenyl)-5-propyltriazol-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 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine (CID 79501310) is 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1-c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine?
The InChIKey is FNXIVVUUWFAASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-6-12-13(14)15-16-17(12)11-8-5-7-9(2)10(11)3/h5,7-8H,4,6,14H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine?
1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine has a molecular weight of 230.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 79501310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).