8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C10H7N5O — CID 135789632

IUPAC8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESO=c1[nH]cnc2c(-c3ccncc3)cnn12
InChIInChI=1S/C10H7N5O/c16-10-13-6-12-9-8(5-14-15(9)10)7-1-3-11-4-2-7/h1-6H,(H,12,13,16)
InChIKeyMRHNAHSGSNMIQC-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.48
Rot. Bonds1

About 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135789632) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID135789632
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESO=c1[nH]cnc2c(-c3ccncc3)cnn12
InChIInChI=1S/C10H7N5O/c16-10-13-6-12-9-8(5-14-15(9)10)7-1-3-11-4-2-7/h1-6H,(H,12,13,16)
InChIKeyMRHNAHSGSNMIQC-UHFFFAOYSA-N
XLogP0.48
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 135789632) is 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is O=c1[nH]cnc2c(-c3ccncc3)cnn12.
What is the InChIKey of 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is MRHNAHSGSNMIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-10-13-6-12-9-8(5-14-15(9)10)7-1-3-11-4-2-7/h1-6H,(H,12,13,16).
What are the key properties of 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 213.20 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pyridin-4-yl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135789632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).