5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide

C14H19N5O — CID 104683976

IUPAC5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide
SMILESCC(CCCN)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C14H19N5O/c1-11(5-4-8-15)14(20)18-12-6-2-3-7-13(12)19-10-16-9-17-19/h2-3,6-7,9-11H,4-5,8,15H2,1H3,(H,18,20)
InChIKeyHXYZLWMGJKRSAN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.58
Rot. Bonds6

About 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide

5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide (PubChem CID 104683976) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide
PubChem CID104683976
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide
SMILESCC(CCCN)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C14H19N5O/c1-11(5-4-8-15)14(20)18-12-6-2-3-7-13(12)19-10-16-9-17-19/h2-3,6-7,9-11H,4-5,8,15H2,1H3,(H,18,20)
InChIKeyHXYZLWMGJKRSAN-UHFFFAOYSA-N
XLogP1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 103830798
2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
CID 60847131
3-(propan-2-ylamino)-N-[2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 60854707
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
(2S)-2-methyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 124846633
5-amino-N-(2-tert-butylphenyl)-2-methylpentanamide
CID 112517031
(2S)-N-[5-bromo-2-(1,2,4-triazol-1-yl)phenyl]-2-methylbutanamide
CID 94413580
4-oxo-4-[2-(1,2,4-triazol-1-yl)anilino]butanoic acid
CID 54867933
5-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methylpentanamide
CID 104684217
5-amino-N-(2-fluoro-3-methylphenyl)-2-methylpentanamide
CID 114254673

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide (CID 104683976) is 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide is CC(CCCN)C(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The InChIKey is HXYZLWMGJKRSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(5-4-8-15)14(20)18-12-6-2-3-7-13(12)19-10-16-9-17-19/h2-3,6-7,9-11H,4-5,8,15H2,1H3,(H,18,20).
What are the key properties of 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide?
5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide has a molecular weight of 273.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 104683976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).