2-cyclohexyl-5-methylpyrazine

C11H16N2 — CID 45099667

IUPAC2-cyclohexyl-5-methylpyrazine
SMILESCc1cnc(C2CCCCC2)cn1
InChIInChI=1S/C11H16N2/c1-9-7-13-11(8-12-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyYTBFGVVZOQOLHK-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.83
Rot. Bonds1

About 2-cyclohexyl-5-methylpyrazine

2-cyclohexyl-5-methylpyrazine (PubChem CID 45099667) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-cyclohexyl-5-methylpyrazine.

Molecular Properties

Compound Name2-cyclohexyl-5-methylpyrazine
PubChem CID45099667
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-cyclohexyl-5-methylpyrazine
SMILESCc1cnc(C2CCCCC2)cn1
InChIInChI=1S/C11H16N2/c1-9-7-13-11(8-12-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3
InChIKeyYTBFGVVZOQOLHK-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isobutyl-3-methyl pyrazine
CID 26333
2-Isopropyl-5-methylpyrazine
CID 61700
Propylpyrazine
CID 87466
(Cyclohexylmethyl)pyrazine
CID 16204532
2-Methyl-5-propylpyrazine
CID 122383
5,6,7,8-Tetrahydro-5-methylquinoxaline
CID 21036679
Pyrazine, (2-methylpropyl)-
CID 34591
Pentylpyrazine
CID 80551
2-Isobutyl-3,6-dimethyl-pyrazine
CID 520585
2,3-Dimethyl-5-(2-methylpropyl)pyrazine
CID 528108
2-Methyl-6-(3-methylbutyl)pyrazine
CID 572730
2,3-Dimethyl-5-propylpyrazine
CID 520566

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methylpyrazine?
The IUPAC name of 2-cyclohexyl-5-methylpyrazine (CID 45099667) is 2-cyclohexyl-5-methylpyrazine.
What is the SMILES notation for 2-cyclohexyl-5-methylpyrazine?
The canonical SMILES for 2-cyclohexyl-5-methylpyrazine is Cc1cnc(C2CCCCC2)cn1.
What is the InChIKey of 2-cyclohexyl-5-methylpyrazine?
The InChIKey is YTBFGVVZOQOLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-7-13-11(8-12-9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-methylpyrazine?
2-cyclohexyl-5-methylpyrazine has a molecular weight of 176.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methylpyrazine is sourced from PubChem (CID 45099667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).