3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide

C15H20N4O — CID 75485072

IUPAC3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H20N4O/c1-11(2)10-14(20)16-9-8-13-17-15(19-18-13)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyXXNQJVGMUUKCFL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.18
Rot. Bonds6

About 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide

3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide (PubChem CID 75485072) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
PubChem CID75485072
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H20N4O/c1-11(2)10-14(20)16-9-8-13-17-15(19-18-13)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyXXNQJVGMUUKCFL-UHFFFAOYSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
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2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 99937211
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 91768811
N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide
CID 50801460
5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
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2-(2-acetyl-1H-isoquinolin-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 166216312
3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
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2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
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4-(3-phenyl-1H-1,2,4-triazol-5-yl)butanoic acid
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5-oxo-5-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pentanoic acid
CID 123409970
1-(4-chlorophenyl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide (CID 75485072) is 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide is CC(C)CC(=O)NCCc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide?
The InChIKey is XXNQJVGMUUKCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)10-14(20)16-9-8-13-17-15(19-18-13)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide?
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 75485072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).