3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine

C15H16N4 — CID 106220432

IUPAC3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine
SMILESNCCCc1cn(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C15H16N4/c16-9-3-6-14-11-19(18-17-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10-11H,3,6,9,16H2
InChIKeyMAQSQCSYOXAVGG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.31
Rot. Bonds4

About 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine

3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine (PubChem CID 106220432) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine
PubChem CID106220432
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine
SMILESNCCCc1cn(-c2ccc3ccccc3c2)nn1
InChIInChI=1S/C15H16N4/c16-9-3-6-14-11-19(18-17-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10-11H,3,6,9,16H2
InChIKeyMAQSQCSYOXAVGG-UHFFFAOYSA-N
XLogP2.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-naphthalen-2-yltriazol-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

4-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]butan-1-amine
CID 104539055
3-[1-(3-bromophenyl)triazol-4-yl]propan-1-amine
CID 106220469
2-[1-(6-bromonaphthalen-2-yl)triazol-4-yl]ethanamine
CID 116641627
3-[1-(3-iodo-4-methylphenyl)triazol-4-yl]propan-1-amine
CID 114257945
1-naphthalen-2-yltriazol-4-amine
CID 79502410
3-[1-(3-fluoro-4-methoxyphenyl)triazol-4-yl]propan-1-amine
CID 114159959
3-[1-[4-methyl-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-1-amine
CID 106220554
3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)triazol-4-yl]propan-1-amine
CID 106220486
4-[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]butan-1-amine
CID 104538935
4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-1-amine
CID 113424666
4-[2-(1-naphthalen-2-yltriazol-4-yl)ethyl]-1,4-thiazepane
CID 166291470
1-(2-methoxyphenyl)-4-[4-(1-naphthalen-2-yltriazol-4-yl)butyl]piperazine
CID 122180568

Frequently Asked Questions

What is the IUPAC name of 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine (CID 106220432) is 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine is NCCCc1cn(-c2ccc3ccccc3c2)nn1.
What is the InChIKey of 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine?
The InChIKey is MAQSQCSYOXAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-9-3-6-14-11-19(18-17-14)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10-11H,3,6,9,16H2.
What are the key properties of 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine?
3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-naphthalen-2-yltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 106220432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).