N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide

C12H14N4O — CID 20974734

IUPACN-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C12H14N4O/c1-2-6-10(17)13-12-14-11(15-16-12)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,13,14,15,16,17)
InChIKeyRNBOADGNRXNEPF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.21
Rot. Bonds4

About N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide

N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide (PubChem CID 20974734) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide
PubChem CID20974734
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C12H14N4O/c1-2-6-10(17)13-12-14-11(15-16-12)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,13,14,15,16,17)
InChIKeyRNBOADGNRXNEPF-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide (CID 20974734) is N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide?
The InChIKey is RNBOADGNRXNEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-6-10(17)13-12-14-11(15-16-12)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3,(H2,13,14,15,16,17).
What are the key properties of N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide?
N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide has a molecular weight of 230.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 20974734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).