4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide

C15H20N4O — CID 126807454

IUPAC4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide
SMILESCCC(C)CCC(=O)Nc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C15H20N4O/c1-3-12(2)4-9-15(20)18-13-5-7-14(8-6-13)19-10-16-17-11-19/h5-8,10-12H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyLHNUMUAFTPADBS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.03
Rot. Bonds6

About 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide

4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide (PubChem CID 126807454) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide.

Molecular Properties

Compound Name4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide
PubChem CID126807454
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide
SMILESCCC(C)CCC(=O)Nc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C15H20N4O/c1-3-12(2)4-9-15(20)18-13-5-7-14(8-6-13)19-10-16-17-11-19/h5-8,10-12H,3-4,9H2,1-2H3,(H,18,20)
InChIKeyLHNUMUAFTPADBS-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,2,4-triazol-4-yl)phenyl]prop-2-enamide
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N-[4-(butan-2-ylamino)phenyl]butanamide
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N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
CID 107767224
(3R)-N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 7432118
N,N'-bis(4-fluorophenyl)-3-methylhexanediamide
CID 2832938
3-methyl-N-(4-pyrrol-1-ylphenyl)butanamide
CID 110726327
3-[4-(3-methylpentanoylamino)phenyl]propanoic acid
CID 114873832
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
N-[3-(butanoylamino)phenyl]-2-chloro-5-(1,2,4-triazol-4-yl)benzamide
CID 2986226
N-(3-hydroxybutyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111433796

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide?
The IUPAC name of 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide (CID 126807454) is 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide.
What is the SMILES notation for 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide?
The canonical SMILES for 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide is CCC(C)CCC(=O)Nc1ccc(-n2cnnc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide?
The InChIKey is LHNUMUAFTPADBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-12(2)4-9-15(20)18-13-5-7-14(8-6-13)19-10-16-17-11-19/h5-8,10-12H,3-4,9H2,1-2H3,(H,18,20).
What are the key properties of 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide?
4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide has a molecular weight of 272.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(1,2,4-triazol-4-yl)phenyl]hexanamide is sourced from PubChem (CID 126807454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).