(6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one

C12H12ClN5O2 — CID 129387332

IUPAC(6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one
SMILESO=C1CO[C@H](CNc2nc(Cl)cc3nccnc23)CN1
InChIInChI=1S/C12H12ClN5O2/c13-9-3-8-11(15-2-1-14-8)12(18-9)17-5-7-4-16-10(19)6-20-7/h1-3,7H,4-6H2,(H,16,19)(H,17,18)/t7-/m0/s1
InChIKeySOCCAGUZNLIHOI-ZETCQYMHSA-N
MW293.71 g/mol
LogP0.61
Rot. Bonds3

About (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one

(6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one (PubChem CID 129387332) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one.

Molecular Properties

Compound Name(6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one
PubChem CID129387332
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC Name(6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one
SMILESO=C1CO[C@H](CNc2nc(Cl)cc3nccnc23)CN1
InChIInChI=1S/C12H12ClN5O2/c13-9-3-8-11(15-2-1-14-8)12(18-9)17-5-7-4-16-10(19)6-20-7/h1-3,7H,4-6H2,(H,16,19)(H,17,18)/t7-/m0/s1
InChIKeySOCCAGUZNLIHOI-ZETCQYMHSA-N
XLogP0.61
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 50.61
H-Bond Donors ≤ 52
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 (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one?
The IUPAC name of (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one (CID 129387332) is (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one.
What is the SMILES notation for (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one?
The canonical SMILES for (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one is O=C1CO[C@H](CNc2nc(Cl)cc3nccnc23)CN1.
What is the InChIKey of (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one?
The InChIKey is SOCCAGUZNLIHOI-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12ClN5O2/c13-9-3-8-11(15-2-1-14-8)12(18-9)17-5-7-4-16-10(19)6-20-7/h1-3,7H,4-6H2,(H,16,19)(H,17,18)/t7-/m0/s1.
What are the key properties of (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one?
(6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one has a molecular weight of 293.71 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]morpholin-3-one is sourced from PubChem (CID 129387332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).