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

C9H16N4O — CID 71946401

IUPACN-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c(CCC)n1
InChIInChI=1S/C9H16N4O/c1-3-5-7-10-9(13-12-7)11-8(14)6-4-2/h3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyGIIYJUQGJQUWHW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.50
Rot. Bonds5

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

N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide (PubChem CID 71946401) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide
PubChem CID71946401
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCCC(=O)Nc1n[nH]c(CCC)n1
InChIInChI=1S/C9H16N4O/c1-3-5-7-10-9(13-12-7)11-8(14)6-4-2/h3-6H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyGIIYJUQGJQUWHW-UHFFFAOYSA-N
XLogP1.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide (CID 71946401) is N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide is CCCC(=O)Nc1n[nH]c(CCC)n1.
What is the InChIKey of N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide?
The InChIKey is GIIYJUQGJQUWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-5-7-10-9(13-12-7)11-8(14)6-4-2/h3-6H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide?
N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1H-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 71946401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).