5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

C17H17FN4O — CID 172893757

IUPAC5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2cnn1CC1CCCC1
InChIInChI=1S/C17H17FN4O/c18-14-7-5-13(6-8-14)15-9-16-17(23)21(19-11-22(16)20-15)10-12-3-1-2-4-12/h5-9,11-12H,1-4,10H2
InChIKeyAPOAQNVUQZIZBS-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.89
Rot. Bonds3

About 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one

5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 172893757) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID172893757
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1c2cc(-c3ccc(F)cc3)nn2cnn1CC1CCCC1
InChIInChI=1S/C17H17FN4O/c18-14-7-5-13(6-8-14)15-9-16-17(23)21(19-11-22(16)20-15)10-12-3-1-2-4-12/h5-9,11-12H,1-4,10H2
InChIKeyAPOAQNVUQZIZBS-UHFFFAOYSA-N
XLogP2.89
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 172893757) is 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1c2cc(-c3ccc(F)cc3)nn2cnn1CC1CCCC1.
What is the InChIKey of 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is APOAQNVUQZIZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-14-7-5-13(6-8-14)15-9-16-17(23)21(19-11-22(16)20-15)10-12-3-1-2-4-12/h5-9,11-12H,1-4,10H2.
What are the key properties of 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one?
5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 312.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-2-(4-fluorophenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 172893757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).