5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one

C13H13N5O2 — CID 102154310

IUPAC5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one
SMILESCCOc1nc2c(nnn2-c2ccccc2)c(=O)n1C
InChIInChI=1S/C13H13N5O2/c1-3-20-13-14-11-10(12(19)17(13)2)15-16-18(11)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyZYJAUAXLLQNUBA-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.91
Rot. Bonds3

About 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one

5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one (PubChem CID 102154310) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one
PubChem CID102154310
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one
SMILESCCOc1nc2c(nnn2-c2ccccc2)c(=O)n1C
InChIInChI=1S/C13H13N5O2/c1-3-20-13-14-11-10(12(19)17(13)2)15-16-18(11)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
InChIKeyZYJAUAXLLQNUBA-UHFFFAOYSA-N
XLogP0.91
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-methylphenoxy)-3-phenyl-6-propan-2-yltriazolo[4,5-d]pyrimidin-7-one
CID 91050864
6-(4-chlorophenyl)-5-(diethylamino)-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 11632614
6-(3-methylbut-2-enyl)-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 154780771
6-(4-methoxybut-2-ynyl)-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 154780959
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 51106016
5-chloro-7-methyl-3-phenyltriazolo[4,5-d]pyrimidine
CID 23258932
3-phenyl-6-[[4-(trifluoromethyl)phenyl]methyl]triazolo[4,5-d]pyrimidin-7-one
CID 7111163
6-[(2-chlorophenyl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 7159317
(4-bromophenyl)-(5-ethyl-3-phenyltriazolo[4,5-d]pyrimidin-7-yl)methanone
CID 10549409
6-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 71870144
N-(2-ethoxyphenyl)-2-[3-(3-fluorophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 7475935

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one (CID 102154310) is 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one is CCOc1nc2c(nnn2-c2ccccc2)c(=O)n1C.
What is the InChIKey of 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ZYJAUAXLLQNUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-3-20-13-14-11-10(12(19)17(13)2)15-16-18(11)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one has a molecular weight of 271.28 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-methyl-3-phenyltriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 102154310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).