(1-methylcyclohexyl) pyrazine-2-carboxylate

C12H16N2O2 — CID 71585065

IUPAC(1-methylcyclohexyl) pyrazine-2-carboxylate
SMILESCC1(OC(=O)c2cnccn2)CCCCC1
InChIInChI=1S/C12H16N2O2/c1-12(5-3-2-4-6-12)16-11(15)10-9-13-7-8-14-10/h7-9H,2-6H2,1H3
InChIKeyDBBJMQYKAKXTCR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.36
Rot. Bonds2

About (1-methylcyclohexyl) pyrazine-2-carboxylate

(1-methylcyclohexyl) pyrazine-2-carboxylate (PubChem CID 71585065) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1-methylcyclohexyl) pyrazine-2-carboxylate.

Molecular Properties

Compound Name(1-methylcyclohexyl) pyrazine-2-carboxylate
PubChem CID71585065
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(1-methylcyclohexyl) pyrazine-2-carboxylate
SMILESCC1(OC(=O)c2cnccn2)CCCCC1
InChIInChI=1S/C12H16N2O2/c1-12(5-3-2-4-6-12)16-11(15)10-9-13-7-8-14-10/h7-9H,2-6H2,1H3
InChIKeyDBBJMQYKAKXTCR-UHFFFAOYSA-N
XLogP2.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) pyrazine-2-carboxylate?
The IUPAC name of (1-methylcyclohexyl) pyrazine-2-carboxylate (CID 71585065) is (1-methylcyclohexyl) pyrazine-2-carboxylate.
What is the SMILES notation for (1-methylcyclohexyl) pyrazine-2-carboxylate?
The canonical SMILES for (1-methylcyclohexyl) pyrazine-2-carboxylate is CC1(OC(=O)c2cnccn2)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) pyrazine-2-carboxylate?
The InChIKey is DBBJMQYKAKXTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(5-3-2-4-6-12)16-11(15)10-9-13-7-8-14-10/h7-9H,2-6H2,1H3.
What are the key properties of (1-methylcyclohexyl) pyrazine-2-carboxylate?
(1-methylcyclohexyl) pyrazine-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) pyrazine-2-carboxylate is sourced from PubChem (CID 71585065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).