2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine

C11H17N2O3P — CID 90980171

IUPAC2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine
SMILESCC(C)OC(OC(C)C)(P=O)c1cnccn1
InChIInChI=1S/C11H17N2O3P/c1-8(2)15-11(17-14,16-9(3)4)10-7-12-5-6-13-10/h5-9H,1-4H3
InChIKeyIQUQMERPQGYHKR-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.73
Rot. Bonds6

About 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine

2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine (PubChem CID 90980171) has the molecular formula C11H17N2O3P and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine.

Molecular Properties

Compound Name2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine
PubChem CID90980171
Molecular FormulaC11H17N2O3P
Molecular Weight256.24 g/mol
Exact Mass256.10
IUPAC Name2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine
SMILESCC(C)OC(OC(C)C)(P=O)c1cnccn1
InChIInChI=1S/C11H17N2O3P/c1-8(2)15-11(17-14,16-9(3)4)10-7-12-5-6-13-10/h5-9H,1-4H3
InChIKeyIQUQMERPQGYHKR-UHFFFAOYSA-N
XLogP2.73
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine?
The IUPAC name of 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine (CID 90980171) is 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine.
What is the SMILES notation for 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine?
The canonical SMILES for 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine is CC(C)OC(OC(C)C)(P=O)c1cnccn1.
What is the InChIKey of 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine?
The InChIKey is IQUQMERPQGYHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O3P/c1-8(2)15-11(17-14,16-9(3)4)10-7-12-5-6-13-10/h5-9H,1-4H3.
What are the key properties of 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine?
2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine has a molecular weight of 256.24 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phosphoroso-di(propan-2-yloxy)methyl]pyrazine is sourced from PubChem (CID 90980171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).