3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide

C17H25N5O2 — CID 19011348

IUPAC3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCC(Cc1ccccc1)C(C)NC(=O)n1nc(N(C)C)n(C)c1=O
InChIInChI=1S/C17H25N5O2/c1-12(11-14-9-7-6-8-10-14)13(2)18-16(23)22-17(24)21(5)15(19-22)20(3)4/h6-10,12-13H,11H2,1-5H3,(H,18,23)
InChIKeyDEMXPXRYAWOGOI-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.47
Rot. Bonds5

About 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide

3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 19011348) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID19011348
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCC(Cc1ccccc1)C(C)NC(=O)n1nc(N(C)C)n(C)c1=O
InChIInChI=1S/C17H25N5O2/c1-12(11-14-9-7-6-8-10-14)13(2)18-16(23)22-17(24)21(5)15(19-22)20(3)4/h6-10,12-13H,11H2,1-5H3,(H,18,23)
InChIKeyDEMXPXRYAWOGOI-UHFFFAOYSA-N
XLogP1.47
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 139013521
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-1-(4-fluoro-N-methylanilino)-3-phenylpropan-2-yl]acetamide
CID 162666114
(3-bromo-2,4-dimethylpentyl)benzene
CID 79298231
1-benzyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 111695210
1-benzyl-N-methyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 134058913
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
(2S)-2-(dimethylamino)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 86285465
2-fluoro-3-methyl-4-phenylbutanoic acid
CID 81357532
N-benzyl-N-propan-2-ylacetamide
CID 23534449

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide (CID 19011348) is 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide is CC(Cc1ccccc1)C(C)NC(=O)n1nc(N(C)C)n(C)c1=O.
What is the InChIKey of 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is DEMXPXRYAWOGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12(11-14-9-7-6-8-10-14)13(2)18-16(23)22-17(24)21(5)15(19-22)20(3)4/h6-10,12-13H,11H2,1-5H3,(H,18,23).
What are the key properties of 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide?
3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methyl-N-(3-methyl-4-phenylbutan-2-yl)-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 19011348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).