2-chloro-3,5,6-triethylpyrazine

C10H15ClN2 — CID 88518877

IUPAC2-chloro-3,5,6-triethylpyrazine
SMILESCCc1nc(CC)c(CC)nc1Cl
InChIInChI=1S/C10H15ClN2/c1-4-7-8(5-2)13-10(11)9(6-3)12-7/h4-6H2,1-3H3
InChIKeyQJYWXMLDDAHXMI-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.82
Rot. Bonds3

About 2-chloro-3,5,6-triethylpyrazine

2-chloro-3,5,6-triethylpyrazine (PubChem CID 88518877) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 2-chloro-3,5,6-triethylpyrazine.

Molecular Properties

Compound Name2-chloro-3,5,6-triethylpyrazine
PubChem CID88518877
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name2-chloro-3,5,6-triethylpyrazine
SMILESCCc1nc(CC)c(CC)nc1Cl
InChIInChI=1S/C10H15ClN2/c1-4-7-8(5-2)13-10(11)9(6-3)12-7/h4-6H2,1-3H3
InChIKeyQJYWXMLDDAHXMI-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5,6-triethylpyrazine?
The IUPAC name of 2-chloro-3,5,6-triethylpyrazine (CID 88518877) is 2-chloro-3,5,6-triethylpyrazine.
What is the SMILES notation for 2-chloro-3,5,6-triethylpyrazine?
The canonical SMILES for 2-chloro-3,5,6-triethylpyrazine is CCc1nc(CC)c(CC)nc1Cl.
What is the InChIKey of 2-chloro-3,5,6-triethylpyrazine?
The InChIKey is QJYWXMLDDAHXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-4-7-8(5-2)13-10(11)9(6-3)12-7/h4-6H2,1-3H3.
What are the key properties of 2-chloro-3,5,6-triethylpyrazine?
2-chloro-3,5,6-triethylpyrazine has a molecular weight of 198.70 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5,6-triethylpyrazine is sourced from PubChem (CID 88518877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).