2-(pyrazin-2-ylmethyl)pyrazine

C9H8N4 — CID 59188427

IUPAC2-(pyrazin-2-ylmethyl)pyrazine
SMILESc1cnc(Cc2cnccn2)cn1
InChIInChI=1S/C9H8N4/c1-3-12-8(6-10-1)5-9-7-11-2-4-13-9/h1-4,6-7H,5H2
InChIKeySZWQRTQSJUSYPI-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.86
Rot. Bonds2

About 2-(pyrazin-2-ylmethyl)pyrazine

2-(pyrazin-2-ylmethyl)pyrazine (PubChem CID 59188427) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(pyrazin-2-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-(pyrazin-2-ylmethyl)pyrazine
PubChem CID59188427
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name2-(pyrazin-2-ylmethyl)pyrazine
SMILESc1cnc(Cc2cnccn2)cn1
InChIInChI=1S/C9H8N4/c1-3-12-8(6-10-1)5-9-7-11-2-4-13-9/h1-4,6-7H,5H2
InChIKeySZWQRTQSJUSYPI-UHFFFAOYSA-N
XLogP0.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propylpyrazine
CID 87466
2-Methyl-5-propylpyrazine
CID 122383
Pentylpyrazine
CID 80551
2,3-Dimethyl-5-propylpyrazine
CID 520566
Pyrazine, 2-methyl-6-propyl-
CID 122380
2-Butylpyrazine
CID 528050
2-Ethyl-5(or6)-methylpyrazine
CID 16220105
2-(But-3-yn-1-yl)pyrazine
CID 165696814
2-[2-(2-Pyrazin-2-ylethyltrisulfanyl)ethyl]pyrazine
CID 44416345
2,5-Dibutylpyrazine
CID 20684313
1,2-Bis(3-methyl-2-pyrazyl)ethane
CID 12629699
2,5-Dipropylpyrazine
CID 21679709

Frequently Asked Questions

What is the IUPAC name of 2-(pyrazin-2-ylmethyl)pyrazine?
The IUPAC name of 2-(pyrazin-2-ylmethyl)pyrazine (CID 59188427) is 2-(pyrazin-2-ylmethyl)pyrazine.
What is the SMILES notation for 2-(pyrazin-2-ylmethyl)pyrazine?
The canonical SMILES for 2-(pyrazin-2-ylmethyl)pyrazine is c1cnc(Cc2cnccn2)cn1.
What is the InChIKey of 2-(pyrazin-2-ylmethyl)pyrazine?
The InChIKey is SZWQRTQSJUSYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-3-12-8(6-10-1)5-9-7-11-2-4-13-9/h1-4,6-7H,5H2.
What are the key properties of 2-(pyrazin-2-ylmethyl)pyrazine?
2-(pyrazin-2-ylmethyl)pyrazine has a molecular weight of 172.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazin-2-ylmethyl)pyrazine is sourced from PubChem (CID 59188427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).