2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C14H12N6O — CID 74221708

IUPAC2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(-c3ccc4[nH]ncc4c3)cc(=O)n2[nH]1
InChIInChI=1S/C14H12N6O/c1-2-12-17-14-16-11(6-13(21)20(14)19-12)8-3-4-10-9(5-8)7-15-18-10/h3-7H,2H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyZCFXTHAIGFSTJO-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.52
Rot. Bonds2

About 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 74221708) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID74221708
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1nc2nc(-c3ccc4[nH]ncc4c3)cc(=O)n2[nH]1
InChIInChI=1S/C14H12N6O/c1-2-12-17-14-16-11(6-13(21)20(14)19-12)8-3-4-10-9(5-8)7-15-18-10/h3-7H,2H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyZCFXTHAIGFSTJO-UHFFFAOYSA-N
XLogP1.52
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 74221708) is 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1nc2nc(-c3ccc4[nH]ncc4c3)cc(=O)n2[nH]1.
What is the InChIKey of 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZCFXTHAIGFSTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-2-12-17-14-16-11(6-13(21)20(14)19-12)8-3-4-10-9(5-8)7-15-18-10/h3-7H,2H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 280.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1H-indazol-5-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 74221708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).