5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide

C13H14N4O2 — CID 6624465

IUPAC5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(CCCC(=O)c1ccccc1)Nc1ncn[nH]1
InChIInChI=1S/C13H14N4O2/c18-11(10-5-2-1-3-6-10)7-4-8-12(19)16-13-14-9-15-17-13/h1-3,5-6,9H,4,7-8H2,(H2,14,15,16,17,19)
InChIKeyKBYQMEHDNIOKRO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.80
Rot. Bonds6

About 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide

5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide (PubChem CID 6624465) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide.

Molecular Properties

Compound Name5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide
PubChem CID6624465
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide
SMILESO=C(CCCC(=O)c1ccccc1)Nc1ncn[nH]1
InChIInChI=1S/C13H14N4O2/c18-11(10-5-2-1-3-6-10)7-4-8-12(19)16-13-14-9-15-17-13/h1-3,5-6,9H,4,7-8H2,(H2,14,15,16,17,19)
InChIKeyKBYQMEHDNIOKRO-UHFFFAOYSA-N
XLogP1.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The IUPAC name of 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide (CID 6624465) is 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide.
What is the SMILES notation for 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The canonical SMILES for 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide is O=C(CCCC(=O)c1ccccc1)Nc1ncn[nH]1.
What is the InChIKey of 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide?
The InChIKey is KBYQMEHDNIOKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-11(10-5-2-1-3-6-10)7-4-8-12(19)16-13-14-9-15-17-13/h1-3,5-6,9H,4,7-8H2,(H2,14,15,16,17,19).
What are the key properties of 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide?
5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide has a molecular weight of 258.28 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide is sourced from PubChem (CID 6624465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).