methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate

C13H19N3O3 — CID 113394825

IUPACmethyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCCCCC2O)n1
InChIInChI=1S/C13H19N3O3/c1-19-13(18)10-7-14-8-12(16-10)15-9-5-3-2-4-6-11(9)17/h7-9,11,17H,2-6H2,1H3,(H,15,16)
InChIKeyQNEBTOILAXFBQI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.37
Rot. Bonds3

About methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate

methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate (PubChem CID 113394825) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
PubChem CID113394825
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NC2CCCCCC2O)n1
InChIInChI=1S/C13H19N3O3/c1-19-13(18)10-7-14-8-12(16-10)15-9-5-3-2-4-6-11(9)17/h7-9,11,17H,2-6H2,1H3,(H,15,16)
InChIKeyQNEBTOILAXFBQI-UHFFFAOYSA-N
XLogP1.37
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyrazine-2-carboxylate
CID 106361866
methyl 6-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazine-2-carboxylate
CID 66458489
methyl 6-[(2,2-dimethylcyclopentyl)amino]pyrazine-2-carboxylate
CID 79871951
methyl 6-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carboxylate
CID 114504550
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-(pyrrolidin-3-ylamino)pyrazine-2-carboxylate
CID 66455769
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-[(1-methylpiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66455915
methyl 6-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxylate
CID 66457874
methyl 6-[(6-oxopiperidin-3-yl)amino]pyrazine-2-carboxylate
CID 66457122
methyl 6-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrazine-2-carboxylate
CID 66457314

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate (CID 113394825) is methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(NC2CCCCCC2O)n1.
What is the InChIKey of methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate?
The InChIKey is QNEBTOILAXFBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-13(18)10-7-14-8-12(16-10)15-9-5-3-2-4-6-11(9)17/h7-9,11,17H,2-6H2,1H3,(H,15,16).
What are the key properties of methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate?
methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-hydroxycycloheptyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 113394825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).