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

C7H12N4O — CID 71386780

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C7H12N4O/c1-3-4-6(12)9-7-8-5(2)10-11-7/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyIRPAZLSPMNBZMH-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.85
Rot. Bonds3

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

N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (PubChem CID 71386780) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
PubChem CID71386780
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C7H12N4O/c1-3-4-6(12)9-7-8-5(2)10-11-7/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyIRPAZLSPMNBZMH-UHFFFAOYSA-N
XLogP0.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (CID 71386780) is N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c(C)n1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The InChIKey is IRPAZLSPMNBZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-3-4-6(12)9-7-8-5(2)10-11-7/h3-4H2,1-2H3,(H2,8,9,10,11,12).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide has a molecular weight of 168.20 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 71386780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).