2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide

C8H14N4O2 — CID 70382788

IUPAC2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide
SMILESCc1nn(C(C)C)c(=O)n1CC(N)=O
InChIInChI=1S/C8H14N4O2/c1-5(2)12-8(14)11(4-7(9)13)6(3)10-12/h5H,4H2,1-3H3,(H2,9,13)
InChIKeyZZLDUAQRUVQYPV-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.58
Rot. Bonds3

About 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide

2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide (PubChem CID 70382788) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide
PubChem CID70382788
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide
SMILESCc1nn(C(C)C)c(=O)n1CC(N)=O
InChIInChI=1S/C8H14N4O2/c1-5(2)12-8(14)11(4-7(9)13)6(3)10-12/h5H,4H2,1-3H3,(H2,9,13)
InChIKeyZZLDUAQRUVQYPV-UHFFFAOYSA-N
XLogP-0.58
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide (CID 70382788) is 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide is Cc1nn(C(C)C)c(=O)n1CC(N)=O.
What is the InChIKey of 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide?
The InChIKey is ZZLDUAQRUVQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(2)12-8(14)11(4-7(9)13)6(3)10-12/h5H,4H2,1-3H3,(H2,9,13).
What are the key properties of 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide?
2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide has a molecular weight of 198.23 g/mol, XLogP of -0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 70382788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).