2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide

C14H19N5O — CID 43706709

IUPAC2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1-c1nncn1C
InChIInChI=1S/C14H19N5O/c1-3-6-11(15)14(20)17-12-8-5-4-7-10(12)13-18-16-9-19(13)2/h4-5,7-9,11H,3,6,15H2,1-2H3,(H,17,20)
InChIKeyUAUXQTSTYSTNEF-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.55
Rot. Bonds5

About 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide

2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide (PubChem CID 43706709) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
PubChem CID43706709
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1ccccc1-c1nncn1C
InChIInChI=1S/C14H19N5O/c1-3-6-11(15)14(20)17-12-8-5-4-7-10(12)13-18-16-9-19(13)2/h4-5,7-9,11H,3,6,15H2,1-2H3,(H,17,20)
InChIKeyUAUXQTSTYSTNEF-UHFFFAOYSA-N
XLogP1.55
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80543408
2-(aminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 65224910
2-bromo-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014344
(2R)-2-amino-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 107568474
2-amino-N-[2-[2-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]acetamide
CID 60846960
2-(2-aminoethoxy)-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]acetamide
CID 79473385
3-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxolane-3-carboxamide
CID 64894160
4-amino-N-[2-(4-ethyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 120560664
2-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]hexanamide
CID 60852236
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910
1-[1-(1-methylimidazol-2-yl)butyl]-3-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 118785617
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)pentanamide
CID 107570097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide (CID 43706709) is 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide is CCCC(N)C(=O)Nc1ccccc1-c1nncn1C.
What is the InChIKey of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The InChIKey is UAUXQTSTYSTNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-6-11(15)14(20)17-12-8-5-4-7-10(12)13-18-16-9-19(13)2/h4-5,7-9,11H,3,6,15H2,1-2H3,(H,17,20).
What are the key properties of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide has a molecular weight of 273.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 43706709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).