ethane;1-methyl-2H-pyrazine

C7H14N2 — CID 90716057

IUPACethane;1-methyl-2H-pyrazine
SMILESCC.CN1C=CN=CC1
InChIInChI=1S/C5H8N2.C2H6/c1-7-4-2-6-3-5-7;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyGPWCCVLRNMUNCB-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds

About ethane;1-methyl-2H-pyrazine

ethane;1-methyl-2H-pyrazine (PubChem CID 90716057) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is ethane;1-methyl-2H-pyrazine.

Molecular Properties

Compound Nameethane;1-methyl-2H-pyrazine
PubChem CID90716057
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Nameethane;1-methyl-2H-pyrazine
SMILESCC.CN1C=CN=CC1
InChIInChI=1S/C5H8N2.C2H6/c1-7-4-2-6-3-5-7;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyGPWCCVLRNMUNCB-UHFFFAOYSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2H-pyrazine?
The IUPAC name of ethane;1-methyl-2H-pyrazine (CID 90716057) is ethane;1-methyl-2H-pyrazine.
What is the SMILES notation for ethane;1-methyl-2H-pyrazine?
The canonical SMILES for ethane;1-methyl-2H-pyrazine is CC.CN1C=CN=CC1.
What is the InChIKey of ethane;1-methyl-2H-pyrazine?
The InChIKey is GPWCCVLRNMUNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C2H6/c1-7-4-2-6-3-5-7;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2H-pyrazine?
ethane;1-methyl-2H-pyrazine has a molecular weight of 126.20 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2H-pyrazine is sourced from PubChem (CID 90716057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).