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

C8H14N4O — CID 78928166

IUPAC2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCC(C)C(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C8H14N4O/c1-4-5(2)7(13)10-8-9-6(3)11-12-8/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyBPJVZOZSEGTVSQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.10
Rot. Bonds3

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

2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (PubChem CID 78928166) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
PubChem CID78928166
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCCC(C)C(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C8H14N4O/c1-4-5(2)7(13)10-8-9-6(3)11-12-8/h5H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKeyBPJVZOZSEGTVSQ-UHFFFAOYSA-N
XLogP1.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (CID 78928166) is 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is CCC(C)C(=O)Nc1n[nH]c(C)n1.
What is the InChIKey of 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The InChIKey is BPJVZOZSEGTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4-5(2)7(13)10-8-9-6(3)11-12-8/h5H,4H2,1-3H3,(H2,9,10,11,12,13).
What are the key properties of 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide has a molecular weight of 182.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 78928166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).