2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine

C15H20N4 — CID 79347097

IUPAC2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine
SMILESCC(C)CNCC=Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-13(2)11-16-10-6-7-14-12-17-19(18-14)15-8-4-3-5-9-15/h3-9,12-13,16H,10-11H2,1-2H3
InChIKeyWLPWRCQDBYGEPE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.53
Rot. Bonds6

About 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine

2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine (PubChem CID 79347097) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine
PubChem CID79347097
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine
SMILESCC(C)CNCC=Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C15H20N4/c1-13(2)11-16-10-6-7-14-12-17-19(18-14)15-8-4-3-5-9-15/h3-9,12-13,16H,10-11H2,1-2H3
InChIKeyWLPWRCQDBYGEPE-UHFFFAOYSA-N
XLogP2.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine (CID 79347097) is 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine is CC(C)CNCC=Cc1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine?
The InChIKey is WLPWRCQDBYGEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-13(2)11-16-10-6-7-14-12-17-19(18-14)15-8-4-3-5-9-15/h3-9,12-13,16H,10-11H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine?
2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2-phenyltriazol-4-yl)prop-2-enyl]propan-1-amine is sourced from PubChem (CID 79347097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).