2-(4-tert-butylcyclohexyl)-3-chloropyrazine

C14H21ClN2 — CID 104576265

IUPAC2-(4-tert-butylcyclohexyl)-3-chloropyrazine
SMILESCC(C)(C)C1CCC(c2nccnc2Cl)CC1
InChIInChI=1S/C14H21ClN2/c1-14(2,3)11-6-4-10(5-7-11)12-13(15)17-9-8-16-12/h8-11H,4-7H2,1-3H3
InChIKeyKSSQSTFMKHFPDR-UHFFFAOYSA-N
MW252.79 g/mol
LogP4.45
Rot. Bonds1

About 2-(4-tert-butylcyclohexyl)-3-chloropyrazine

2-(4-tert-butylcyclohexyl)-3-chloropyrazine (PubChem CID 104576265) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohexyl)-3-chloropyrazine.

Molecular Properties

Compound Name2-(4-tert-butylcyclohexyl)-3-chloropyrazine
PubChem CID104576265
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-(4-tert-butylcyclohexyl)-3-chloropyrazine
SMILESCC(C)(C)C1CCC(c2nccnc2Cl)CC1
InChIInChI=1S/C14H21ClN2/c1-14(2,3)11-6-4-10(5-7-11)12-13(15)17-9-8-16-12/h8-11H,4-7H2,1-3H3
InChIKeyKSSQSTFMKHFPDR-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohexyl)-3-chloropyrazine?
The IUPAC name of 2-(4-tert-butylcyclohexyl)-3-chloropyrazine (CID 104576265) is 2-(4-tert-butylcyclohexyl)-3-chloropyrazine.
What is the SMILES notation for 2-(4-tert-butylcyclohexyl)-3-chloropyrazine?
The canonical SMILES for 2-(4-tert-butylcyclohexyl)-3-chloropyrazine is CC(C)(C)C1CCC(c2nccnc2Cl)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohexyl)-3-chloropyrazine?
The InChIKey is KSSQSTFMKHFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-14(2,3)11-6-4-10(5-7-11)12-13(15)17-9-8-16-12/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohexyl)-3-chloropyrazine?
2-(4-tert-butylcyclohexyl)-3-chloropyrazine has a molecular weight of 252.79 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohexyl)-3-chloropyrazine is sourced from PubChem (CID 104576265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).