2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide

C19H15N4O3P — CID 59514477

IUPAC2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide
SMILESCc1ccc2c(c1)P(=O)(On1nnc3cccnc31)c1cc(C)ccc1O2
InChIInChI=1S/C19H15N4O3P/c1-12-5-7-15-17(10-12)27(24,18-11-13(2)6-8-16(18)25-15)26-23-19-14(21-22-23)4-3-9-20-19/h3-11H,1-2H3
InChIKeyCIBWVOAYNFFMDH-UHFFFAOYSA-N
MW378.33 g/mol
LogP2.91
Rot. Bonds2

About 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide

2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide (PubChem CID 59514477) has the molecular formula C19H15N4O3P and a molecular weight of 378.33 g/mol. Its IUPAC name is 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide.

Molecular Properties

Compound Name2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide
PubChem CID59514477
Molecular FormulaC19H15N4O3P
Molecular Weight378.33 g/mol
Exact Mass378.09
IUPAC Name2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide
SMILESCc1ccc2c(c1)P(=O)(On1nnc3cccnc31)c1cc(C)ccc1O2
InChIInChI=1S/C19H15N4O3P/c1-12-5-7-15-17(10-12)27(24,18-11-13(2)6-8-16(18)25-15)26-23-19-14(21-22-23)4-3-9-20-19/h3-11H,1-2H3
InChIKeyCIBWVOAYNFFMDH-UHFFFAOYSA-N
XLogP2.91
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide?
The IUPAC name of 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide (CID 59514477) is 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide.
What is the SMILES notation for 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide?
The canonical SMILES for 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide is Cc1ccc2c(c1)P(=O)(On1nnc3cccnc31)c1cc(C)ccc1O2.
What is the InChIKey of 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide?
The InChIKey is CIBWVOAYNFFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N4O3P/c1-12-5-7-15-17(10-12)27(24,18-11-13(2)6-8-16(18)25-15)26-23-19-14(21-22-23)4-3-9-20-19/h3-11H,1-2H3.
What are the key properties of 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide?
2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide has a molecular weight of 378.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-10-(triazolo[4,5-b]pyridin-3-yloxy)phenoxaphosphinine 10-oxide is sourced from PubChem (CID 59514477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).