2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one

C20H13N5O2 — CID 164618585

IUPAC2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one
SMILESCc1cc(-c2ccccc2)nc2nc(-c3nc4ccccc4c(=O)o3)nn12
InChIInChI=1S/C20H13N5O2/c1-12-11-16(13-7-3-2-4-8-13)22-20-23-17(24-25(12)20)18-21-15-10-6-5-9-14(15)19(26)27-18/h2-11H,1H3
InChIKeyDBDSSGSCAZNYDF-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.27
Rot. Bonds2

About 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one

2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one (PubChem CID 164618585) has the molecular formula C20H13N5O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one
PubChem CID164618585
Molecular FormulaC20H13N5O2
Molecular Weight355.36 g/mol
Exact Mass355.11
IUPAC Name2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one
SMILESCc1cc(-c2ccccc2)nc2nc(-c3nc4ccccc4c(=O)o3)nn12
InChIInChI=1S/C20H13N5O2/c1-12-11-16(13-7-3-2-4-8-13)22-20-23-17(24-25(12)20)18-21-15-10-6-5-9-14(15)19(26)27-18/h2-11H,1H3
InChIKeyDBDSSGSCAZNYDF-UHFFFAOYSA-N
XLogP3.27
TPSA86.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one (CID 164618585) is 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one is Cc1cc(-c2ccccc2)nc2nc(-c3nc4ccccc4c(=O)o3)nn12.
What is the InChIKey of 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one?
The InChIKey is DBDSSGSCAZNYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O2/c1-12-11-16(13-7-3-2-4-8-13)22-20-23-17(24-25(12)20)18-21-15-10-6-5-9-14(15)19(26)27-18/h2-11H,1H3.
What are the key properties of 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one?
2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one has a molecular weight of 355.36 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-3,1-benzoxazin-4-one is sourced from PubChem (CID 164618585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).