2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide

C15H20N4O — CID 42957266

IUPAC2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C15H20N4O/c1-3-12(2)15(20)17-8-13-6-4-5-7-14(13)9-19-11-16-10-18-19/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyULSWGZBXHBNGQY-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.99
Rot. Bonds6

About 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide

2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide (PubChem CID 42957266) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
PubChem CID42957266
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccccc1Cn1cncn1
InChIInChI=1S/C15H20N4O/c1-3-12(2)15(20)17-8-13-6-4-5-7-14(13)9-19-11-16-10-18-19/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,20)
InChIKeyULSWGZBXHBNGQY-UHFFFAOYSA-N
XLogP1.99
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447936
2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
CID 119846813
2,3-dichloro-N-[1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 55738079
benzyl N-[(2S)-3-methyl-1-oxo-1-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]butan-2-yl]carbamate
CID 55938687
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55619280
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
2-[methyl-[2-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119359245
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119846749
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 111477965
(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 35669651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide (CID 42957266) is 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide is CCC(C)C(=O)NCc1ccccc1Cn1cncn1.
What is the InChIKey of 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide?
The InChIKey is ULSWGZBXHBNGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12(2)15(20)17-8-13-6-4-5-7-14(13)9-19-11-16-10-18-19/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,20).
What are the key properties of 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide?
2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 42957266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).