2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide

C12H17N7O — CID 114386539

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nc(C)c(N)c2C)nc1C
InChIInChI=1S/C12H17N7O/c1-6-7(2)16-17-12(14-6)15-10(20)5-19-9(4)11(13)8(3)18-19/h5,13H2,1-4H3,(H,14,15,17,20)
InChIKeyQXQWSWSOXXEWHU-UHFFFAOYSA-N
MW275.32 g/mol
LogP0.52
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide (PubChem CID 114386539) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
PubChem CID114386539
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
SMILESCc1nnc(NC(=O)Cn2nc(C)c(N)c2C)nc1C
InChIInChI=1S/C12H17N7O/c1-6-7(2)16-17-12(14-6)15-10(20)5-19-9(4)11(13)8(3)18-19/h5,13H2,1-4H3,(H,14,15,17,20)
InChIKeyQXQWSWSOXXEWHU-UHFFFAOYSA-N
XLogP0.52
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide with MolForge

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Related Compounds

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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
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methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
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2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-piperidin-1-ylacetamide
CID 83012956
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 106301572
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide (CID 114386539) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide is Cc1nnc(NC(=O)Cn2nc(C)c(N)c2C)nc1C.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
The InChIKey is QXQWSWSOXXEWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-6-7(2)16-17-12(14-6)15-10(20)5-19-9(4)11(13)8(3)18-19/h5,13H2,1-4H3,(H,14,15,17,20).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide has a molecular weight of 275.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide is sourced from PubChem (CID 114386539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).