7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one

C8H8N4O — CID 137302571

IUPAC7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one
SMILESO=c1ncn2nc(C3CC3)cc2[nH]1
InChIInChI=1S/C8H8N4O/c13-8-9-4-12-7(10-8)3-6(11-12)5-1-2-5/h3-5H,1-2H2,(H,10,13)
InChIKeyVSAMERQMJMWERI-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.29
Rot. Bonds1

About 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one

7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one (PubChem CID 137302571) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one.

Molecular Properties

Compound Name7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one
PubChem CID137302571
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one
SMILESO=c1ncn2nc(C3CC3)cc2[nH]1
InChIInChI=1S/C8H8N4O/c13-8-9-4-12-7(10-8)3-6(11-12)5-1-2-5/h3-5H,1-2H2,(H,10,13)
InChIKeyVSAMERQMJMWERI-UHFFFAOYSA-N
XLogP0.29
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one?
The IUPAC name of 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one (CID 137302571) is 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one.
What is the SMILES notation for 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one?
The canonical SMILES for 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one is O=c1ncn2nc(C3CC3)cc2[nH]1.
What is the InChIKey of 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one?
The InChIKey is VSAMERQMJMWERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c13-8-9-4-12-7(10-8)3-6(11-12)5-1-2-5/h3-5H,1-2H2,(H,10,13).
What are the key properties of 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one?
7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one has a molecular weight of 176.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1H-pyrazolo[1,5-a][1,3,5]triazin-2-one is sourced from PubChem (CID 137302571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).