5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one

C17H11N5O2 — CID 21250725

IUPAC5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
SMILESO=C1N=C(c2ccccc2OCc2ccccc2)N=C2N=NN=C12
InChIInChI=1S/C17H11N5O2/c23-17-14-16(21-22-20-14)18-15(19-17)12-8-4-5-9-13(12)24-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyANVQELVNTWIGHE-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.77
Rot. Bonds4

About 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one

5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one (PubChem CID 21250725) has the molecular formula C17H11N5O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
PubChem CID21250725
Molecular FormulaC17H11N5O2
Molecular Weight317.31 g/mol
Exact Mass317.09
IUPAC Name5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one
SMILESO=C1N=C(c2ccccc2OCc2ccccc2)N=C2N=NN=C12
InChIInChI=1S/C17H11N5O2/c23-17-14-16(21-22-20-14)18-15(19-17)12-8-4-5-9-13(12)24-10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyANVQELVNTWIGHE-UHFFFAOYSA-N
XLogP2.77
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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4-(2-phenylmethoxyphenyl)pyridine-3-carbaldehyde
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4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 54431299
3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
CID 139370202
2-(2-aminophenyl)-3-phenylmethoxyaniline
CID 68789108
6,13-bis(3-phenylmethoxy-2-pyridinyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 58995891

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one (CID 21250725) is 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one is O=C1N=C(c2ccccc2OCc2ccccc2)N=C2N=NN=C12.
What is the InChIKey of 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is ANVQELVNTWIGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2/c23-17-14-16(21-22-20-14)18-15(19-17)12-8-4-5-9-13(12)24-10-11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 317.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 21250725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).