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

C8H10N4O2 — CID 135423459

IUPAC3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C)nn2c1=O
InChIInChI=1S/C8H10N4O2/c1-3-11-7(13)9-6-4-5(2)10-12(6)8(11)14/h4H,3H2,1-2H3,(H,9,13)
InChIKeyALSBBIQZDFHXHL-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.49
Rot. Bonds1

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

3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135423459) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135423459
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(C)nn2c1=O
InChIInChI=1S/C8H10N4O2/c1-3-11-7(13)9-6-4-5(2)10-12(6)8(11)14/h4H,3H2,1-2H3,(H,9,13)
InChIKeyALSBBIQZDFHXHL-UHFFFAOYSA-N
XLogP-0.49
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135423459) is 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is CCn1c(=O)[nH]c2cc(C)nn2c1=O.
What is the InChIKey of 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is ALSBBIQZDFHXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-3-11-7(13)9-6-4-5(2)10-12(6)8(11)14/h4H,3H2,1-2H3,(H,9,13).
What are the key properties of 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 194.19 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135423459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).