methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate

C11H15N3O5 — CID 171556675

IUPACmethyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2OCCC(O)C2O)cn1
InChIInChI=1S/C11H15N3O5/c1-18-11(17)6-4-13-8(5-12-6)14-10-9(16)7(15)2-3-19-10/h4-5,7,9-10,15-16H,2-3H2,1H3,(H,13,14)
InChIKeyASXWIFALUZCISJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.86
Rot. Bonds3

About methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate

methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate (PubChem CID 171556675) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate
PubChem CID171556675
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2OCCC(O)C2O)cn1
InChIInChI=1S/C11H15N3O5/c1-18-11(17)6-4-13-8(5-12-6)14-10-9(16)7(15)2-3-19-10/h4-5,7,9-10,15-16H,2-3H2,1H3,(H,13,14)
InChIKeyASXWIFALUZCISJ-UHFFFAOYSA-N
XLogP-0.86
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 5-[[(2S)-2-ethyl-4-hydroxybutyl]amino]pyrazine-2-carboxylate
CID 100672124
Methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate;6-(trifluoromethyl)pyrazin-2-amine
CID 171556674
methyl 5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]pyrazine-2-carboxylate
CID 171556708
ethyl 5-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methylamino]pyrazine-2-carboxylate
CID 176953310
Methyl 5-[(oxan-4-yl)amino]pyrazine-2-carboxylate
CID 67536094
5-[(3,4-Dihydroxyoxan-2-yl)methylamino]pyrazine-2-carbaldehyde;ethane;2-methoxypropane
CID 177015216
Methyl 3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate
CID 15914241
Methyl 6-chloro-3-(2,3-dihydroxypropylamino)pyrazine-2-carboxylate
CID 15914244
3-(1,4-Dioxan-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 55107553
3-[(2-Methoxycyclopentyl)amino]pyrazine-2-carboxylic acid
CID 62709797
3-(Oxan-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 62710489
3-(Oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 62710958

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate (CID 171556675) is methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate is COC(=O)c1cnc(NC2OCCC(O)C2O)cn1.
What is the InChIKey of methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate?
The InChIKey is ASXWIFALUZCISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-18-11(17)6-4-13-8(5-12-6)14-10-9(16)7(15)2-3-19-10/h4-5,7,9-10,15-16H,2-3H2,1H3,(H,13,14).
What are the key properties of methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate?
methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate has a molecular weight of 269.26 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(3,4-dihydroxyoxan-2-yl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 171556675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).