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

Related Compounds

2-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 119291926
1-[(2S)-2-(diethylamino)propyl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 94201454
(2S)-2-(4-chlorophenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 51940925
2-methoxy-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 53497973
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 129403536
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 87016991
2,3-dimethyl-2-[(4-phenyl-1,2,4-triazol-3-yl)methyl]butanoic acid
CID 62711628
2-methyl-1-(3-methylbutan-2-yl)-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111002055
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 119291922
1-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 86986978
1-amino-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119291921
1-[1-(2,6-difluorophenyl)propan-2-yl]-3-[(4-phenyl-1,2,4-triazol-3-yl)methyl]urea
CID 55929885

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).