2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H10N4O2 — CID 83095404

IUPAC2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C12H10N4O2/c1-18-12-14-11-13-9(7-10(17)16(11)15-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeyBDHKYNPJIBBWQQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.09
Rot. Bonds2

About 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 83095404) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID83095404
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C12H10N4O2/c1-18-12-14-11-13-9(7-10(17)16(11)15-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15)
InChIKeyBDHKYNPJIBBWQQ-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 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 83095404) is 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BDHKYNPJIBBWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-12-14-11-13-9(7-10(17)16(11)15-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14,15).
What are the key properties of 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-methoxy-5-phenyl-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 2-methoxy-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 83095404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).