2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine

C13H22N2 — CID 70837931

IUPAC2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine
SMILESCCc1nc(C(C)C)c(C(C)C)nc1C
InChIInChI=1S/C13H22N2/c1-7-11-10(6)14-12(8(2)3)13(15-11)9(4)5/h8-9H,7H2,1-6H3
InChIKeyHOWARTNVSIWPKG-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.59
Rot. Bonds3

About 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine

2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine (PubChem CID 70837931) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine.

Molecular Properties

Compound Name2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine
PubChem CID70837931
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine
SMILESCCc1nc(C(C)C)c(C(C)C)nc1C
InChIInChI=1S/C13H22N2/c1-7-11-10(6)14-12(8(2)3)13(15-11)9(4)5/h8-9H,7H2,1-6H3
InChIKeyHOWARTNVSIWPKG-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine?
The IUPAC name of 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine (CID 70837931) is 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine.
What is the SMILES notation for 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine?
The canonical SMILES for 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine is CCc1nc(C(C)C)c(C(C)C)nc1C.
What is the InChIKey of 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine?
The InChIKey is HOWARTNVSIWPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-7-11-10(6)14-12(8(2)3)13(15-11)9(4)5/h8-9H,7H2,1-6H3.
What are the key properties of 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine?
2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine has a molecular weight of 206.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-5,6-di(propan-2-yl)pyrazine is sourced from PubChem (CID 70837931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).