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

C17H16N4O — CID 888108

IUPAC3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ncn[nH]1
InChIInChI=1S/C17H16N4O/c22-16(20-17-18-12-19-21-17)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,18,19,20,21,22)
InChIKeyIOOWKAPRRVOIFL-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.97
Rot. Bonds5

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

3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 888108) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID888108
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ncn[nH]1
InChIInChI=1S/C17H16N4O/c22-16(20-17-18-12-19-21-17)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,18,19,20,21,22)
InChIKeyIOOWKAPRRVOIFL-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 888108) is 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ncn[nH]1.
What is the InChIKey of 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is IOOWKAPRRVOIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-16(20-17-18-12-19-21-17)11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12,15H,11H2,(H2,18,19,20,21,22).
What are the key properties of 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 292.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 888108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).