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

C13H10N6O — CID 74221707

IUPAC5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3ccc4[nH]ncc4c3)cc(=O)n2[nH]1
InChIInChI=1S/C13H10N6O/c1-7-15-13-16-11(5-12(20)19(13)18-7)8-2-3-10-9(4-8)6-14-17-10/h2-6H,1H3,(H,14,17)(H,15,16,18)
InChIKeyNNRSKVZBLQFJPU-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.27
Rot. Bonds1

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

5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 74221707) has the molecular formula C13H10N6O and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID74221707
Molecular FormulaC13H10N6O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3ccc4[nH]ncc4c3)cc(=O)n2[nH]1
InChIInChI=1S/C13H10N6O/c1-7-15-13-16-11(5-12(20)19(13)18-7)8-2-3-10-9(4-8)6-14-17-10/h2-6H,1H3,(H,14,17)(H,15,16,18)
InChIKeyNNRSKVZBLQFJPU-UHFFFAOYSA-N
XLogP1.27
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 74221707) is 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(-c3ccc4[nH]ncc4c3)cc(=O)n2[nH]1.
What is the InChIKey of 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NNRSKVZBLQFJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O/c1-7-15-13-16-11(5-12(20)19(13)18-7)8-2-3-10-9(4-8)6-14-17-10/h2-6H,1H3,(H,14,17)(H,15,16,18).
What are the key properties of 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 266.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 74221707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).