methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate

C12H17N3O3 — CID 66457826

IUPACmethyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCC2(N)CCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-17-11(16)9-6-14-7-10(15-9)18-8-12(13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3
InChIKeyKMTBDHHTRPMWNT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.91
Rot. Bonds4

About methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate

methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate (PubChem CID 66457826) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate
PubChem CID66457826
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCC2(N)CCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-17-11(16)9-6-14-7-10(15-9)18-8-12(13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3
InChIKeyKMTBDHHTRPMWNT-UHFFFAOYSA-N
XLogP0.91
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-methoxypyrazin-2-yl)oxymethyl]cyclohexan-1-amine
CID 64574686
1-[(6-ethoxypyrazin-2-yl)oxymethyl]cyclopentan-1-amine
CID 64571624
methyl 6-(2-methylpropoxy)pyrazine-2-carboxylate
CID 66456879
methyl 6-[3-(propan-2-ylamino)propoxy]pyrazine-2-carboxylate
CID 66455846
methyl 6-(4,4,4-trifluorobutoxy)pyrazine-2-carboxylate
CID 82787869
methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate
CID 114197051
methyl 6-[3-(aminomethyl)cyclobutyl]oxypyrazine-2-carboxylate
CID 66456836
methyl 6-[(4-bromophenyl)methoxy]pyrazine-2-carboxylate
CID 82827835
methyl 6-[2-(2-methylpropoxy)ethoxy]pyrazine-2-carboxylate
CID 106447133
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434
methyl 6-(3,5-dimethylcyclohexyl)oxypyrazine-2-carboxylate
CID 66455926
6-[(1-aminocyclohexyl)methoxy]pyridine-3-carboxamide
CID 64574041

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate (CID 66457826) is methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate is COC(=O)c1cncc(OCC2(N)CCCC2)n1.
What is the InChIKey of methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate?
The InChIKey is KMTBDHHTRPMWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-11(16)9-6-14-7-10(15-9)18-8-12(13)4-2-3-5-12/h6-7H,2-5,8,13H2,1H3.
What are the key properties of methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate?
methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-aminocyclopentyl)methoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 66457826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).