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

C12H10N4O2 — CID 1448299

IUPAC5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]cnc3n2)cc1
InChIInChI=1S/C12H10N4O2/c1-18-9-4-2-8(3-5-9)10-6-11(17)16-12(15-10)13-7-14-16/h2-7H,1H3,(H,13,14,15)
InChIKeyZGISPQSJTFPKIQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.09
Rot. Bonds2

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

5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1448299) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1448299
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2cc(=O)n3[nH]cnc3n2)cc1
InChIInChI=1S/C12H10N4O2/c1-18-9-4-2-8(3-5-9)10-6-11(17)16-12(15-10)13-7-14-16/h2-7H,1H3,(H,13,14,15)
InChIKeyZGISPQSJTFPKIQ-UHFFFAOYSA-N
XLogP1.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1448299) is 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2cc(=O)n3[nH]cnc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZGISPQSJTFPKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-9-4-2-8(3-5-9)10-6-11(17)16-12(15-10)13-7-14-16/h2-7H,1H3,(H,13,14,15).
What are the key properties of 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 242.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1448299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).