(7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane

C7H8N3OP — CID 58001695

IUPAC(7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane
SMILESCOc1cn(P)c2nccnc12
InChIInChI=1S/C7H8N3OP/c1-11-5-4-10(12)7-6(5)8-2-3-9-7/h2-4H,12H2,1H3
InChIKeyCZPYHMMNDHTAMG-UHFFFAOYSA-N
MW181.14 g/mol
LogP1.08
Rot. Bonds1

About (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane

(7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane (PubChem CID 58001695) has the molecular formula C7H8N3OP and a molecular weight of 181.14 g/mol. Its IUPAC name is (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane.

Molecular Properties

Compound Name(7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane
PubChem CID58001695
Molecular FormulaC7H8N3OP
Molecular Weight181.14 g/mol
Exact Mass181.04
IUPAC Name(7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane
SMILESCOc1cn(P)c2nccnc12
InChIInChI=1S/C7H8N3OP/c1-11-5-4-10(12)7-6(5)8-2-3-9-7/h2-4H,12H2,1H3
InChIKeyCZPYHMMNDHTAMG-UHFFFAOYSA-N
XLogP1.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane?
The IUPAC name of (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane (CID 58001695) is (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane.
What is the SMILES notation for (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane?
The canonical SMILES for (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane is COc1cn(P)c2nccnc12.
What is the InChIKey of (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane?
The InChIKey is CZPYHMMNDHTAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3OP/c1-11-5-4-10(12)7-6(5)8-2-3-9-7/h2-4H,12H2,1H3.
What are the key properties of (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane?
(7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane has a molecular weight of 181.14 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxypyrrolo[2,3-b]pyrazin-5-yl)phosphane is sourced from PubChem (CID 58001695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).