N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide

C13H16N4O2 — CID 8722036

IUPACN-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2cncn2)cc1
InChIInChI=1S/C13H16N4O2/c1-2-19-12-5-3-11(4-6-12)16-13(18)7-8-17-10-14-9-15-17/h3-6,9-10H,2,7-8H2,1H3,(H,16,18)
InChIKeyJIAKUEXBDJASCQ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.71
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 8722036) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID8722036
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCn2cncn2)cc1
InChIInChI=1S/C13H16N4O2/c1-2-19-12-5-3-11(4-6-12)16-13(18)7-8-17-10-14-9-15-17/h3-6,9-10H,2,7-8H2,1H3,(H,16,18)
InChIKeyJIAKUEXBDJASCQ-UHFFFAOYSA-N
XLogP1.71
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 8722036) is N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide is CCOc1ccc(NC(=O)CCn2cncn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JIAKUEXBDJASCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-19-12-5-3-11(4-6-12)16-13(18)7-8-17-10-14-9-15-17/h3-6,9-10H,2,7-8H2,1H3,(H,16,18).
What are the key properties of N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 8722036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).