N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide

C14H18N4O — CID 15943468

IUPACN-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCc1ccc(NC(=O)CC(C)n2cncn2)c(C)c1
InChIInChI=1S/C14H18N4O/c1-10-4-5-13(11(2)6-10)17-14(19)7-12(3)18-9-15-8-16-18/h4-6,8-9,12H,7H2,1-3H3,(H,17,19)
InChIKeyAUQQBNOYVVZUIH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.48
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide

N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide (PubChem CID 15943468) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
PubChem CID15943468
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCc1ccc(NC(=O)CC(C)n2cncn2)c(C)c1
InChIInChI=1S/C14H18N4O/c1-10-4-5-13(11(2)6-10)17-14(19)7-12(3)18-9-15-8-16-18/h4-6,8-9,12H,7H2,1-3H3,(H,17,19)
InChIKeyAUQQBNOYVVZUIH-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cycloheptyl-1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10550644
1-(2,6-Diisopropyl-phenyl)-3-(1-dodecyl-1H-[1,2,4]triazol-3-yl)-urea
CID 10647438
N-(2,4-dimethylphenyl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 857567
N-(2,5-dimethylphenyl)-3-(1H-tetrazol-1-yl)propanamide
CID 5296923
1-(2,6-Diisopropyl-phenyl)-3-(2-dodecyl-2H-[1,2,4]triazol-3-yl)-urea
CID 10527767
N-(4-isopropylphenyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3-piperidinamine
CID 24818921
3-(4-anilinophenyl)-N,2,2-trimethyl-3-(1,2,4-triazol-1-yl)propanamide
CID 71461338
1-(3-ethyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CID 71856559
N-(2-methylphenyl)-7-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 4896840
1-(2,4-dimethylphenyl)-3-(4H-1,2,4-triazol-4-yl)urea
CID 24818641
N-[3,5-bis(trifluoromethyl)phenyl]-3-(1H-tetrazol-1-yl)propanamide
CID 5296928
4-(dimethylamino)-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588891

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide (CID 15943468) is N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide is Cc1ccc(NC(=O)CC(C)n2cncn2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is AUQQBNOYVVZUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-4-5-13(11(2)6-10)17-14(19)7-12(3)18-9-15-8-16-18/h4-6,8-9,12H,7H2,1-3H3,(H,17,19).
What are the key properties of N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 15943468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).