methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate

C13H18N4O2 — CID 66458489

IUPACmethyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCN3CCCC23)n1
InChIInChI=1S/C13H18N4O2/c1-19-13(18)10-7-14-8-12(16-10)15-9-4-6-17-5-2-3-11(9)17/h7-9,11H,2-6H2,1H3,(H,15,16)
InChIKeyQPBKMJXEUDJDDQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.91
Rot. Bonds3

About methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate

methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate (PubChem CID 66458489) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate
PubChem CID66458489
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemethyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCN3CCCC23)n1
InChIInChI=1S/C13H18N4O2/c1-19-13(18)10-7-14-8-12(16-10)15-9-4-6-17-5-2-3-11(9)17/h7-9,11H,2-6H2,1H3,(H,15,16)
InChIKeyQPBKMJXEUDJDDQ-UHFFFAOYSA-N
XLogP0.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
CID 114504550
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
CID 113394825
methyl 6-[(1-methylpiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66455915
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carboxylate
CID 106361866
methyl 6-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate
CID 79871951
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
CID 79362831
methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
CID 66457542
methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate
CID 66457874
methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66450885
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
CID 66457314
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
CID 66455933

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate (CID 66458489) is methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCN3CCCC23)n1.
What is the InChIKey of methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate?
The InChIKey is QPBKMJXEUDJDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-13(18)10-7-14-8-12(16-10)15-9-4-6-17-5-2-3-11(9)17/h7-9,11H,2-6H2,1H3,(H,15,16).
What are the key properties of methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate?
methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 66458489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).