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

C13H16N4O2 — CID 86793775

IUPAC3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1nncn1C
InChIInChI=1S/C13H16N4O2/c1-17-9-14-16-13(17)15-12(18)8-7-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,16,18)
InChIKeyKEQOLWLVHABVLN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.39
Rot. Bonds5

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

3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 86793775) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID86793775
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1nncn1C
InChIInChI=1S/C13H16N4O2/c1-17-9-14-16-13(17)15-12(18)8-7-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,16,18)
InChIKeyKEQOLWLVHABVLN-UHFFFAOYSA-N
XLogP1.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 86793775) is 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide is COc1ccccc1CCC(=O)Nc1nncn1C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is KEQOLWLVHABVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-9-14-16-13(17)15-12(18)8-7-10-5-3-4-6-11(10)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,16,18).
What are the key properties of 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide?
3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 86793775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).