cyclohepta[b]pyrazine

C9H6N2 — CID 123876010

IUPACcyclohepta[b]pyrazine
SMILESC1=CC=c2nccnc2=CC=1
InChIInChI=1S/C9H6N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h2-7H
InChIKeySKNDLGAIKRJPDN-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.24
Rot. Bonds

About cyclohepta[b]pyrazine

cyclohepta[b]pyrazine (PubChem CID 123876010) has the molecular formula C9H6N2 and a molecular weight of 142.16 g/mol. Its IUPAC name is cyclohepta[b]pyrazine.

Molecular Properties

Compound Namecyclohepta[b]pyrazine
PubChem CID123876010
Molecular FormulaC9H6N2
Molecular Weight142.16 g/mol
Exact Mass142.05
IUPAC Namecyclohepta[b]pyrazine
SMILESC1=CC=c2nccnc2=CC=1
InChIInChI=1S/C9H6N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h2-7H
InChIKeySKNDLGAIKRJPDN-UHFFFAOYSA-N
XLogP-0.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[b]pyrazine?
The IUPAC name of cyclohepta[b]pyrazine (CID 123876010) is cyclohepta[b]pyrazine.
What is the SMILES notation for cyclohepta[b]pyrazine?
The canonical SMILES for cyclohepta[b]pyrazine is C1=CC=c2nccnc2=CC=1.
What is the InChIKey of cyclohepta[b]pyrazine?
The InChIKey is SKNDLGAIKRJPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h2-7H.
What are the key properties of cyclohepta[b]pyrazine?
cyclohepta[b]pyrazine has a molecular weight of 142.16 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[b]pyrazine is sourced from PubChem (CID 123876010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).