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

C9H16N4O — CID 78958095

IUPAC2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCc1nc(NC(=O)C(C)C(C)C)n[nH]1
InChIInChI=1S/C9H16N4O/c1-5(2)6(3)8(14)11-9-10-7(4)12-13-9/h5-6H,1-4H3,(H2,10,11,12,13,14)
InChIKeyCZFWUYITJJDWCO-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.34
Rot. Bonds3

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

2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (PubChem CID 78958095) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
PubChem CID78958095
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
SMILESCc1nc(NC(=O)C(C)C(C)C)n[nH]1
InChIInChI=1S/C9H16N4O/c1-5(2)6(3)8(14)11-9-10-7(4)12-13-9/h5-6H,1-4H3,(H2,10,11,12,13,14)
InChIKeyCZFWUYITJJDWCO-UHFFFAOYSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide (CID 78958095) is 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is Cc1nc(NC(=O)C(C)C(C)C)n[nH]1.
What is the InChIKey of 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
The InChIKey is CZFWUYITJJDWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-5(2)6(3)8(14)11-9-10-7(4)12-13-9/h5-6H,1-4H3,(H2,10,11,12,13,14).
What are the key properties of 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide?
2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 78958095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).