2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

C14H16N8O — CID 46983971

IUPAC2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCc1cc(C)nc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)n1
InChIInChI=1S/C14H16N8O/c1-9-4-10(2)18-14(17-9)11-5-16-22(7-11)8-13(23)19-12-6-15-21(3)20-12/h4-7H,8H2,1-3H3,(H,19,20,23)
InChIKeyJOZCTEMWNRRVQV-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.72
Rot. Bonds4

About 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide

2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (PubChem CID 46983971) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
PubChem CID46983971
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide
SMILESCc1cc(C)nc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)n1
InChIInChI=1S/C14H16N8O/c1-9-4-10(2)18-14(17-9)11-5-16-22(7-11)8-13(23)19-12-6-15-21(3)20-12/h4-7H,8H2,1-3H3,(H,19,20,23)
InChIKeyJOZCTEMWNRRVQV-UHFFFAOYSA-N
XLogP0.72
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide (CID 46983971) is 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is Cc1cc(C)nc(-c2cnn(CC(=O)Nc3cnn(C)n3)c2)n1.
What is the InChIKey of 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
The InChIKey is JOZCTEMWNRRVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c1-9-4-10(2)18-14(17-9)11-5-16-22(7-11)8-13(23)19-12-6-15-21(3)20-12/h4-7H,8H2,1-3H3,(H,19,20,23).
What are the key properties of 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide?
2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide has a molecular weight of 312.34 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,6-dimethylpyrimidin-2-yl)pyrazol-1-yl]-N-(2-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 46983971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).