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

C7H12N4O — CID 4601407

IUPAC3-methyl-N-(1,2,4-triazol-4-yl)butanamide
SMILESCC(C)CC(=O)Nn1cnnc1
InChIInChI=1S/C7H12N4O/c1-6(2)3-7(12)10-11-4-8-9-5-11/h4-6H,3H2,1-2H3,(H,10,12)
InChIKeyGOPDRGDYGHHBJA-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.39
Rot. Bonds3

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

3-methyl-N-(1,2,4-triazol-4-yl)butanamide (PubChem CID 4601407) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-methyl-N-(1,2,4-triazol-4-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,4-triazol-4-yl)butanamide
PubChem CID4601407
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-methyl-N-(1,2,4-triazol-4-yl)butanamide
SMILESCC(C)CC(=O)Nn1cnnc1
InChIInChI=1S/C7H12N4O/c1-6(2)3-7(12)10-11-4-8-9-5-11/h4-6H,3H2,1-2H3,(H,10,12)
InChIKeyGOPDRGDYGHHBJA-UHFFFAOYSA-N
XLogP0.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,4-triazol-4-yl)butanamide?
The IUPAC name of 3-methyl-N-(1,2,4-triazol-4-yl)butanamide (CID 4601407) is 3-methyl-N-(1,2,4-triazol-4-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(1,2,4-triazol-4-yl)butanamide?
The canonical SMILES for 3-methyl-N-(1,2,4-triazol-4-yl)butanamide is CC(C)CC(=O)Nn1cnnc1.
What is the InChIKey of 3-methyl-N-(1,2,4-triazol-4-yl)butanamide?
The InChIKey is GOPDRGDYGHHBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-6(2)3-7(12)10-11-4-8-9-5-11/h4-6H,3H2,1-2H3,(H,10,12).
What are the key properties of 3-methyl-N-(1,2,4-triazol-4-yl)butanamide?
3-methyl-N-(1,2,4-triazol-4-yl)butanamide has a molecular weight of 168.20 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,4-triazol-4-yl)butanamide is sourced from PubChem (CID 4601407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).