2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine

C12H13ClN4O2 — CID 90202819

IUPAC2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine
SMILESClc1cc2nccnc2c(OCC2CNCCO2)n1
InChIInChI=1S/C12H13ClN4O2/c13-10-5-9-11(16-2-1-15-9)12(17-10)19-7-8-6-14-3-4-18-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyROPLFVGPCJQKEZ-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.05
Rot. Bonds3

About 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine

2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine (PubChem CID 90202819) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine.

Molecular Properties

Compound Name2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine
PubChem CID90202819
Molecular FormulaC12H13ClN4O2
Molecular Weight280.71 g/mol
Exact Mass280.07
IUPAC Name2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine
SMILESClc1cc2nccnc2c(OCC2CNCCO2)n1
InChIInChI=1S/C12H13ClN4O2/c13-10-5-9-11(16-2-1-15-9)12(17-10)19-7-8-6-14-3-4-18-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyROPLFVGPCJQKEZ-UHFFFAOYSA-N
XLogP1.05
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine?
The IUPAC name of 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine (CID 90202819) is 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine.
What is the SMILES notation for 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine?
The canonical SMILES for 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine is Clc1cc2nccnc2c(OCC2CNCCO2)n1.
What is the InChIKey of 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine?
The InChIKey is ROPLFVGPCJQKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c13-10-5-9-11(16-2-1-15-9)12(17-10)19-7-8-6-14-3-4-18-8/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine?
2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine has a molecular weight of 280.71 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine is sourced from PubChem (CID 90202819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).