1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone

C8H8N4O — CID 13011540

IUPAC1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone
SMILESCC(=O)c1nnc2ccnn2c1C
InChIInChI=1S/C8H8N4O/c1-5-8(6(2)13)11-10-7-3-4-9-12(5)7/h3-4H,1-2H3
InChIKeyKQIMWRNVKHRPQQ-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.64
Rot. Bonds1

About 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone

1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone (PubChem CID 13011540) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone
PubChem CID13011540
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone
SMILESCC(=O)c1nnc2ccnn2c1C
InChIInChI=1S/C8H8N4O/c1-5-8(6(2)13)11-10-7-3-4-9-12(5)7/h3-4H,1-2H3
InChIKeyKQIMWRNVKHRPQQ-UHFFFAOYSA-N
XLogP0.64
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone?
The IUPAC name of 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone (CID 13011540) is 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone.
What is the SMILES notation for 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone?
The canonical SMILES for 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone is CC(=O)c1nnc2ccnn2c1C.
What is the InChIKey of 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone?
The InChIKey is KQIMWRNVKHRPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-8(6(2)13)11-10-7-3-4-9-12(5)7/h3-4H,1-2H3.
What are the key properties of 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone?
1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone has a molecular weight of 176.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethanone is sourced from PubChem (CID 13011540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).