methyl 5-(cyclohexylamino)pyrazine-2-carboxylate

C12H17N3O2 — CID 68569547

IUPACmethyl 5-(cyclohexylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-7-14-11(8-13-10)15-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyKRIQIDZUEAKGEO-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.01
Rot. Bonds3

About methyl 5-(cyclohexylamino)pyrazine-2-carboxylate

methyl 5-(cyclohexylamino)pyrazine-2-carboxylate (PubChem CID 68569547) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 5-(cyclohexylamino)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclohexylamino)pyrazine-2-carboxylate
PubChem CID68569547
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 5-(cyclohexylamino)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-7-14-11(8-13-10)15-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,14,15)
InChIKeyKRIQIDZUEAKGEO-UHFFFAOYSA-N
XLogP2.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-aminopyrazinecarboxylate
CID 72669
Methyl 5-aminopyrazine-2-carboxylate
CID 14536427
Methyl 6-aminopyrazine-2-carboxylate
CID 44558107
Methyl 3-amino-6-methylpyrazine-2-carboxylate
CID 58840780
Sodium 3-(propylamino)pyrazine-2-carboxylate
CID 168277678
Methyl 6-(2,6-dimethylmorpholin-4-yl)pyrazine-2-carboxylate
CID 479363
Sodium 5-(propylamino)pyrazine-2-carboxylate
CID 168269528
Sodium 6-(2-methylpropylamino)pyrazine-2-carboxylate
CID 168271480
Sodium 5-(cyclobutylamino)pyrazine-2-carboxylate
CID 168271755
Sodium 3-(ethylamino)pyrazine-2-carboxylate
CID 168273884
Sodium 3-(propan-2-ylamino)pyrazine-2-carboxylate
CID 168274911
Sodium 5-(2-methylpropylamino)pyrazine-2-carboxylate
CID 168276864

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclohexylamino)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(cyclohexylamino)pyrazine-2-carboxylate (CID 68569547) is methyl 5-(cyclohexylamino)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(cyclohexylamino)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(cyclohexylamino)pyrazine-2-carboxylate is COC(=O)c1cnc(NC2CCCCC2)cn1.
What is the InChIKey of methyl 5-(cyclohexylamino)pyrazine-2-carboxylate?
The InChIKey is KRIQIDZUEAKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)10-7-14-11(8-13-10)15-9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,14,15).
What are the key properties of methyl 5-(cyclohexylamino)pyrazine-2-carboxylate?
methyl 5-(cyclohexylamino)pyrazine-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclohexylamino)pyrazine-2-carboxylate is sourced from PubChem (CID 68569547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).