3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide

C12H14N4O2 — CID 903249

IUPAC3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-18-10-5-2-9(3-6-10)4-7-11(17)15-12-13-8-14-16-12/h2-3,5-6,8H,4,7H2,1H3,(H2,13,14,15,16,17)
InChIKeyAYZBWCCXNMCLBB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.38
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide

3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 903249) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID903249
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C12H14N4O2/c1-18-10-5-2-9(3-6-10)4-7-11(17)15-12-13-8-14-16-12/h2-3,5-6,8H,4,7H2,1H3,(H2,13,14,15,16,17)
InChIKeyAYZBWCCXNMCLBB-UHFFFAOYSA-N
XLogP1.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 903249) is 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is COc1ccc(CCC(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is AYZBWCCXNMCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-10-5-2-9(3-6-10)4-7-11(17)15-12-13-8-14-16-12/h2-3,5-6,8H,4,7H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 246.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 903249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).