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

C7H12N4O — CID 130568827

IUPAC2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)c1ncn(CC(N)=O)n1
InChIInChI=1S/C7H12N4O/c1-5(2)7-9-4-11(10-7)3-6(8)12/h4-5H,3H2,1-2H3,(H2,8,12)
InChIKeyNNWLGVZQMSLLKL-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.11
Rot. Bonds3

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

2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide (PubChem CID 130568827) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide
PubChem CID130568827
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide
SMILESCC(C)c1ncn(CC(N)=O)n1
InChIInChI=1S/C7H12N4O/c1-5(2)7-9-4-11(10-7)3-6(8)12/h4-5H,3H2,1-2H3,(H2,8,12)
InChIKeyNNWLGVZQMSLLKL-UHFFFAOYSA-N
XLogP-0.11
TPSA73.80 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 ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide (CID 130568827) is 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide is CC(C)c1ncn(CC(N)=O)n1.
What is the InChIKey of 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is NNWLGVZQMSLLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(2)7-9-4-11(10-7)3-6(8)12/h4-5H,3H2,1-2H3,(H2,8,12).
What are the key properties of 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide?
2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 168.20 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-yl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 130568827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).