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

C12H14Cl2N4O2 — CID 118468513

IUPAC2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride
SMILESCl.Clc1cc2nccnc2c(OCC2CNCCO2)n1
InChIInChI=1S/C12H13ClN4O2.ClH/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;1H
InChIKeyDNHUMNOLHPZGRY-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.47
Rot. Bonds3

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

2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride (PubChem CID 118468513) has the molecular formula C12H14Cl2N4O2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride
PubChem CID118468513
Molecular FormulaC12H14Cl2N4O2
Molecular Weight317.18 g/mol
Exact Mass316.05
IUPAC Name2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride
SMILESCl.Clc1cc2nccnc2c(OCC2CNCCO2)n1
InChIInChI=1S/C12H13ClN4O2.ClH/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;1H
InChIKeyDNHUMNOLHPZGRY-UHFFFAOYSA-N
XLogP1.47
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.47
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;hydrochloride?
The IUPAC name of 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride (CID 118468513) is 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride.
What is the SMILES notation for 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride?
The canonical SMILES for 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride is Cl.Clc1cc2nccnc2c(OCC2CNCCO2)n1.
What is the InChIKey of 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride?
The InChIKey is DNHUMNOLHPZGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2.ClH/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;1H.
What are the key properties of 2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride?
2-[(7-chloropyrido[3,4-b]pyrazin-5-yl)oxymethyl]morpholine;hydrochloride has a molecular weight of 317.18 g/mol, XLogP of 1.47, 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;hydrochloride is sourced from PubChem (CID 118468513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).