2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide

C19H21N5O — CID 134589530

IUPAC2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)C)cc(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H21N5O/c1-13(2)18(25)21-15-9-14(3)10-16(11-15)22-19-20-12-24(23-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,21,25)(H,22,23)
InChIKeyAGAWWANOQQBVKF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.91
Rot. Bonds5

About 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide

2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide (PubChem CID 134589530) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide
PubChem CID134589530
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)C)cc(Nc2ncn(-c3ccccc3)n2)c1
InChIInChI=1S/C19H21N5O/c1-13(2)18(25)21-15-9-14(3)10-16(11-15)22-19-20-12-24(23-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,21,25)(H,22,23)
InChIKeyAGAWWANOQQBVKF-UHFFFAOYSA-N
XLogP3.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-(3-propan-2-yloxyphenyl)-1,2,4-triazol-3-amine
CID 11770857
2-methoxy-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzoic acid
CID 134589387
N-(3-methyl-5-propan-2-yloxyphenyl)-1-pyridin-3-yl-1,2,4-triazol-3-amine
CID 134589901
5-methyl-3-N-[1-(oxetan-3-yl)piperidin-4-yl]-1-N-(1-phenyl-1,2,4-triazol-3-yl)benzene-1,3-diamine;molecular hydrogen
CID 160752053
2-methoxy-N-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]benzamide
CID 134589371
N-[4-[[2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methylpropanamide
CID 46799402
N-(2-fluoro-5-propan-2-yloxyphenyl)-1-phenyl-1,2,4-triazol-3-amine
CID 134589402
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
4-[(1-phenyl-1,2,4-triazol-3-yl)amino]-2-propan-2-yloxybenzonitrile
CID 134589185
1-N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-3-N-[(2S)-3-methoxybutan-2-yl]-5-methylbenzene-1,3-diamine
CID 134606261
N-(4-methyl-2-pyridinyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138623
N-[[3-[[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]amino]-5-methylphenyl]methyl]acetamide
CID 134605746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide (CID 134589530) is 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide is Cc1cc(NC(=O)C(C)C)cc(Nc2ncn(-c3ccccc3)n2)c1.
What is the InChIKey of 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide?
The InChIKey is AGAWWANOQQBVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(2)18(25)21-15-9-14(3)10-16(11-15)22-19-20-12-24(23-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide?
2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-5-[(1-phenyl-1,2,4-triazol-3-yl)amino]phenyl]propanamide is sourced from PubChem (CID 134589530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).