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

C10H14N4O2 — CID 135540428

IUPAC3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c2cc(C)nn2c1=O
InChIInChI=1S/C10H14N4O2/c1-4-7(3)13-9(15)11-8-5-6(2)12-14(8)10(13)16/h5,7H,4H2,1-3H3,(H,11,15)
InChIKeyRQIQFYMKZROAMW-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.46
Rot. Bonds2

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

3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135540428) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135540428
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c2cc(C)nn2c1=O
InChIInChI=1S/C10H14N4O2/c1-4-7(3)13-9(15)11-8-5-6(2)12-14(8)10(13)16/h5,7H,4H2,1-3H3,(H,11,15)
InChIKeyRQIQFYMKZROAMW-UHFFFAOYSA-N
XLogP0.46
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione with MolForge

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Related Compounds

N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135409934
4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
CID 135540437
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
4-ethylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
CID 135477884
3-butyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135481129
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide
CID 71877041
N-(2,5-Dimethylpyrazol-3-YL)-2,4-dimethylpiperazine-1-carboxamide
CID 71877042
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
CID 71877055
3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135423459
7-Methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diol
CID 136219281
7-(trifluoromethyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136244462

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135540428) is 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is CCC(C)n1c(=O)[nH]c2cc(C)nn2c1=O.
What is the InChIKey of 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is RQIQFYMKZROAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-4-7(3)13-9(15)11-8-5-6(2)12-14(8)10(13)16/h5,7H,4H2,1-3H3,(H,11,15).
What are the key properties of 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 222.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135540428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).