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

C15H20N4O — CID 50801460

IUPACN-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(-c2ccc(C)cc2)n[nH]1
InChIInChI=1S/C15H20N4O/c1-3-4-14(20)16-10-9-13-17-15(19-18-13)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyJEOZBJPCVAGBQM-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.24
Rot. Bonds6

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

N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide (PubChem CID 50801460) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide
PubChem CID50801460
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc(-c2ccc(C)cc2)n[nH]1
InChIInChI=1S/C15H20N4O/c1-3-4-14(20)16-10-9-13-17-15(19-18-13)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyJEOZBJPCVAGBQM-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
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
CID 53008569
3-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 75485072
1-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-ethylurea
CID 127266866
[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methanol
CID 79600441
3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
CID 53090148
5-oxo-5-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethylamino]pentanoic acid
CID 123409970
N-[2-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 126815135
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56524362
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-(methylamino)butanamide;hydrochloride
CID 119769685
1-(2-ethylphenyl)-3-[2-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethyl]urea
CID 50801462
5-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 75508286
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide (CID 50801460) is N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide is CCCC(=O)NCCc1nc(-c2ccc(C)cc2)n[nH]1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide?
The InChIKey is JEOZBJPCVAGBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-14(20)16-10-9-13-17-15(19-18-13)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide?
N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]ethyl]butanamide is sourced from PubChem (CID 50801460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).