2-methyl-3-propan-2-ylpyrazine

C8H12N2 — CID 519203

IUPAC2-methyl-3-propan-2-ylpyrazine
SMILESCc1nccnc1C(C)C
InChIInChI=1S/C8H12N2/c1-6(2)8-7(3)9-4-5-10-8/h4-6H,1-3H3
InChIKeyLNSYLBDZKBWDNL-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.91
Rot. Bonds1

About 2-methyl-3-propan-2-ylpyrazine

2-methyl-3-propan-2-ylpyrazine (PubChem CID 519203) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylpyrazine
PubChem CID519203
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methyl-3-propan-2-ylpyrazine
SMILESCc1nccnc1C(C)C
InChIInChI=1S/C8H12N2/c1-6(2)8-7(3)9-4-5-10-8/h4-6H,1-3H3
InChIKeyLNSYLBDZKBWDNL-UHFFFAOYSA-N
XLogP1.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-ylpyrazine?
The IUPAC name of 2-methyl-3-propan-2-ylpyrazine (CID 519203) is 2-methyl-3-propan-2-ylpyrazine.
What is the SMILES notation for 2-methyl-3-propan-2-ylpyrazine?
The canonical SMILES for 2-methyl-3-propan-2-ylpyrazine is Cc1nccnc1C(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylpyrazine?
The InChIKey is LNSYLBDZKBWDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6(2)8-7(3)9-4-5-10-8/h4-6H,1-3H3.
What are the key properties of 2-methyl-3-propan-2-ylpyrazine?
2-methyl-3-propan-2-ylpyrazine has a molecular weight of 136.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylpyrazine is sourced from PubChem (CID 519203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).