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

C7H12N4O2 — CID 130668781

IUPAC3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide
SMILESCC(C)(O)CC(=O)Nn1cnnc1
InChIInChI=1S/C7H12N4O2/c1-7(2,13)3-6(12)10-11-4-8-9-5-11/h4-5,13H,3H2,1-2H3,(H,10,12)
InChIKeyQAHCFNNSTFSMJG-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.49
Rot. Bonds3

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

3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide (PubChem CID 130668781) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide
PubChem CID130668781
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide
SMILESCC(C)(O)CC(=O)Nn1cnnc1
InChIInChI=1S/C7H12N4O2/c1-7(2,13)3-6(12)10-11-4-8-9-5-11/h4-5,13H,3H2,1-2H3,(H,10,12)
InChIKeyQAHCFNNSTFSMJG-UHFFFAOYSA-N
XLogP-0.49
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide?
The IUPAC name of 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide (CID 130668781) is 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide is CC(C)(O)CC(=O)Nn1cnnc1.
What is the InChIKey of 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide?
The InChIKey is QAHCFNNSTFSMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-7(2,13)3-6(12)10-11-4-8-9-5-11/h4-5,13H,3H2,1-2H3,(H,10,12).
What are the key properties of 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide?
3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide has a molecular weight of 184.20 g/mol, XLogP of -0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-(1,2,4-triazol-4-yl)butanamide is sourced from PubChem (CID 130668781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).