1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine

C12H16N4 — CID 106226775

IUPAC1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(-c2cccc(C)c2)nn1
InChIInChI=1S/C12H16N4/c1-3-11(13)12-8-16(15-14-12)10-6-4-5-9(2)7-10/h4-8,11H,3,13H2,1-2H3
InChIKeyKSTBUZZCFHRLIE-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.99
Rot. Bonds3

About 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine

1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine (PubChem CID 106226775) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
PubChem CID106226775
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine
SMILESCCC(N)c1cn(-c2cccc(C)c2)nn1
InChIInChI=1S/C12H16N4/c1-3-11(13)12-8-16(15-14-12)10-6-4-5-9(2)7-10/h4-8,11H,3,13H2,1-2H3
InChIKeyKSTBUZZCFHRLIE-UHFFFAOYSA-N
XLogP1.99
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-butan-2-yloxyphenyl)triazol-4-yl]propan-1-amine
CID 106227126
1-[1-(3-chloro-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 106226670
4-(1-bromoethyl)-1-(3-methylphenyl)triazole
CID 81445146
1-[1-(4-ethylphenyl)triazol-4-yl]propan-1-amine
CID 114160847
1-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]propan-1-amine
CID 106227230
1-[1-(3-iodophenyl)triazol-4-yl]butan-1-amine
CID 114160881
1-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106227272
1-[1-(3-chloro-2-fluorophenyl)triazol-4-yl]propan-1-amine
CID 106226838
1-(3-methylphenyl)-4-(4-methylphenyl)triazole
CID 153378101
1-[1-(2,4,5-trichlorophenyl)triazol-4-yl]propan-1-amine
CID 106226938
1-[1-(3-ethylphenyl)triazol-4-yl]propan-1-ol
CID 113482605
1-[1-(2,5-dimethylphenyl)triazol-4-yl]butan-1-amine
CID 106226787

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine?
The IUPAC name of 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine (CID 106226775) is 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine?
The canonical SMILES for 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine is CCC(N)c1cn(-c2cccc(C)c2)nn1.
What is the InChIKey of 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine?
The InChIKey is KSTBUZZCFHRLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-11(13)12-8-16(15-14-12)10-6-4-5-9(2)7-10/h4-8,11H,3,13H2,1-2H3.
What are the key properties of 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine?
1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)triazol-4-yl]propan-1-amine is sourced from PubChem (CID 106226775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).