2,6-bis(3-methylpyrazol-1-yl)pyrazine

C12H12N6 — CID 850140

IUPAC2,6-bis(3-methylpyrazol-1-yl)pyrazine
SMILESCc1ccn(-c2cncc(-n3ccc(C)n3)n2)n1
InChIInChI=1S/C12H12N6/c1-9-3-5-17(15-9)11-7-13-8-12(14-11)18-6-4-10(2)16-18/h3-8H,1-2H3
InChIKeySXJRQAPLRWJUCQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.46
Rot. Bonds2

About 2,6-bis(3-methylpyrazol-1-yl)pyrazine

2,6-bis(3-methylpyrazol-1-yl)pyrazine (PubChem CID 850140) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2,6-bis(3-methylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2,6-bis(3-methylpyrazol-1-yl)pyrazine
PubChem CID850140
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name2,6-bis(3-methylpyrazol-1-yl)pyrazine
SMILESCc1ccn(-c2cncc(-n3ccc(C)n3)n2)n1
InChIInChI=1S/C12H12N6/c1-9-3-5-17(15-9)11-7-13-8-12(14-11)18-6-4-10(2)16-18/h3-8H,1-2H3
InChIKeySXJRQAPLRWJUCQ-UHFFFAOYSA-N
XLogP1.46
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(3-methylpyrazol-1-yl)pyrazine?
The IUPAC name of 2,6-bis(3-methylpyrazol-1-yl)pyrazine (CID 850140) is 2,6-bis(3-methylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2,6-bis(3-methylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2,6-bis(3-methylpyrazol-1-yl)pyrazine is Cc1ccn(-c2cncc(-n3ccc(C)n3)n2)n1.
What is the InChIKey of 2,6-bis(3-methylpyrazol-1-yl)pyrazine?
The InChIKey is SXJRQAPLRWJUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-9-3-5-17(15-9)11-7-13-8-12(14-11)18-6-4-10(2)16-18/h3-8H,1-2H3.
What are the key properties of 2,6-bis(3-methylpyrazol-1-yl)pyrazine?
2,6-bis(3-methylpyrazol-1-yl)pyrazine has a molecular weight of 240.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(3-methylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 850140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).