2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide

C14H19N5O — CID 119728210

IUPAC2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1nncn1-c1ccccc1
InChIInChI=1S/C14H19N5O/c1-11(8-15-2)14(20)16-9-13-18-17-10-19(13)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,16,20)
InChIKeyPQVPTQWEAFHVPB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.74
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide

2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 119728210) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID119728210
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCNCC(C)C(=O)NCc1nncn1-c1ccccc1
InChIInChI=1S/C14H19N5O/c1-11(8-15-2)14(20)16-9-13-18-17-10-19(13)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,16,20)
InChIKeyPQVPTQWEAFHVPB-UHFFFAOYSA-N
XLogP0.74
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide 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-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 119728210) is 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide is CNCC(C)C(=O)NCc1nncn1-c1ccccc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is PQVPTQWEAFHVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(8-15-2)14(20)16-9-13-18-17-10-19(13)12-6-4-3-5-7-12/h3-7,10-11,15H,8-9H2,1-2H3,(H,16,20).
What are the key properties of 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide?
2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 119728210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).