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

C14H18N4O — CID 47423979

IUPAC2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccccc1-c1n[nH]c(C)n1
InChIInChI=1S/C14H18N4O/c1-4-9(2)14(19)16-12-8-6-5-7-11(12)13-15-10(3)17-18-13/h5-9H,4H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyUWHRGSOZAUGRMD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.76
Rot. Bonds4

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

2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide (PubChem CID 47423979) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
PubChem CID47423979
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccccc1-c1n[nH]c(C)n1
InChIInChI=1S/C14H18N4O/c1-4-9(2)14(19)16-12-8-6-5-7-11(12)13-15-10(3)17-18-13/h5-9H,4H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyUWHRGSOZAUGRMD-UHFFFAOYSA-N
XLogP2.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 43698496
2-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropanoic acid
CID 114897949
(2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902793
5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-5-oxopentanoic acid
CID 60942165
4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 60841888
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
1-(aminomethyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 115452444
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylaniline
CID 43694606
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78928166
5-bromo-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]thiophene-3-carboxamide
CID 60956125
4-(methanesulfonamido)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]benzamide
CID 86776880
N-benzyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 43694567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The IUPAC name of 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide (CID 47423979) is 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide is CCC(C)C(=O)Nc1ccccc1-c1n[nH]c(C)n1.
What is the InChIKey of 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The InChIKey is UWHRGSOZAUGRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-9(2)14(19)16-12-8-6-5-7-11(12)13-15-10(3)17-18-13/h5-9H,4H2,1-3H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide has a molecular weight of 258.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 47423979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).