(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide

C14H19N5O — CID 103830798

IUPAC(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C14H19N5O/c1-2-3-6-11(15)14(20)18-12-7-4-5-8-13(12)19-10-16-9-17-19/h4-5,7-11H,2-3,6,15H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyKKPQNMRGJKPQOR-NSHDSACASA-N
MW273.34 g/mol
LogP1.72
Rot. Bonds6

About (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide

(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide (PubChem CID 103830798) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
PubChem CID103830798
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C14H19N5O/c1-2-3-6-11(15)14(20)18-12-7-4-5-8-13(12)19-10-16-9-17-19/h4-5,7-11H,2-3,6,15H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyKKPQNMRGJKPQOR-NSHDSACASA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]butanediamide
CID 60847131
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
(2R)-2-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79011417
5-amino-2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 104683976
2-amino-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 60944539
2-(aminomethyl)-3-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 65225295
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 43699115
N-octyl-2-(1,2,4-triazol-1-yl)aniline
CID 43711465
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide (CID 103830798) is (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide?
The InChIKey is KKPQNMRGJKPQOR-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-3-6-11(15)14(20)18-12-7-4-5-8-13(12)19-10-16-9-17-19/h4-5,7-11H,2-3,6,15H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide?
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide has a molecular weight of 273.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide is sourced from PubChem (CID 103830798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).