3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

C12H16N4O2 — CID 135409934

IUPAC3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCc1cc2[nH]c(=O)n(C3CCCCC3)c(=O)n2n1
InChIInChI=1S/C12H16N4O2/c1-8-7-10-13-11(17)15(12(18)16(10)14-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,17)
InChIKeyFDPYXGVPHRWCLA-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.00
Rot. Bonds1

About 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135409934) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135409934
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCc1cc2[nH]c(=O)n(C3CCCCC3)c(=O)n2n1
InChIInChI=1S/C12H16N4O2/c1-8-7-10-13-11(17)15(12(18)16(10)14-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,17)
InChIKeyFDPYXGVPHRWCLA-UHFFFAOYSA-N
XLogP1.00
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-(1-cyclohexylpiperidin-4-yl)-5-methyl-1H-benzimidazol-2-one
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1-cyclohexyl-3-methyl-5-prop-1-en-2-ylpyrazole
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CID 81446613
5-bromo-1-cyclohexyl-3-methylpyrazole
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CID 117208462

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135409934) is 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is Cc1cc2[nH]c(=O)n(C3CCCCC3)c(=O)n2n1.
What is the InChIKey of 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is FDPYXGVPHRWCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-7-10-13-11(17)15(12(18)16(10)14-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,13,17).
What are the key properties of 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 248.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135409934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).