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

C14H19N5O — CID 60841888

IUPAC4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1ccccc1-c1n[nH]c(C)n1
InChIInChI=1S/C14H19N5O/c1-10-16-14(19-18-10)11-6-3-4-7-12(11)17-13(20)8-5-9-15-2/h3-4,6-7,15H,5,8-9H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyNJLFDBNEHVSOCD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.72
Rot. Bonds6

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

4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide (PubChem CID 60841888) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
PubChem CID60841888
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1ccccc1-c1n[nH]c(C)n1
InChIInChI=1S/C14H19N5O/c1-10-16-14(19-18-10)11-6-3-4-7-12(11)17-13(20)8-5-9-15-2/h3-4,6-7,15H,5,8-9H2,1-2H3,(H,17,20)(H,16,18,19)
InChIKeyNJLFDBNEHVSOCD-UHFFFAOYSA-N
XLogP1.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-5-oxopentanoic acid
CID 60942165
4-(methylamino)-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670453
2-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 47423979
1-(aminomethyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 115452444
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
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylaniline
CID 43694606
3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 63139378
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-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide (CID 60841888) is 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide is CNCCCC(=O)Nc1ccccc1-c1n[nH]c(C)n1.
What is the InChIKey of 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
The InChIKey is NJLFDBNEHVSOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-16-14(19-18-10)11-6-3-4-7-12(11)17-13(20)8-5-9-15-2/h3-4,6-7,15H,5,8-9H2,1-2H3,(H,17,20)(H,16,18,19).
What are the key properties of 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide?
4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide has a molecular weight of 273.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide is sourced from PubChem (CID 60841888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).