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

C12H13FN4O2 — CID 83092568

IUPAC3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4O2/c1-19-12-15-11(16-17-12)14-10(18)7-4-8-2-5-9(13)6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,14,15,16,17,18)
InChIKeyVSHUVODHRPUTFA-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.52
Rot. Bonds5

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

3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 83092568) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
PubChem CID83092568
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
SMILESCOc1n[nH]c(NC(=O)CCc2ccc(F)cc2)n1
InChIInChI=1S/C12H13FN4O2/c1-19-12-15-11(16-17-12)14-10(18)7-4-8-2-5-9(13)6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,14,15,16,17,18)
InChIKeyVSHUVODHRPUTFA-UHFFFAOYSA-N
XLogP1.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide (CID 83092568) is 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is COc1n[nH]c(NC(=O)CCc2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is VSHUVODHRPUTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c1-19-12-15-11(16-17-12)14-10(18)7-4-8-2-5-9(13)6-3-8/h2-3,5-6H,4,7H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide?
3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 264.26 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 83092568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).