4,8-dihydro-1H-cyclohepta[b]pyrazine

C9H10N2 — CID 123829027

IUPAC4,8-dihydro-1H-cyclohepta[b]pyrazine
SMILESC1=CCC=C2NC=CNC2=C1
InChIInChI=1S/C9H10N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-2,4-7,10-11H,3H2
InChIKeyYIXTVPCVHZEFRQ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.38
Rot. Bonds

About 4,8-dihydro-1H-cyclohepta[b]pyrazine

4,8-dihydro-1H-cyclohepta[b]pyrazine (PubChem CID 123829027) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,8-dihydro-1H-cyclohepta[b]pyrazine.

Molecular Properties

Compound Name4,8-dihydro-1H-cyclohepta[b]pyrazine
PubChem CID123829027
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4,8-dihydro-1H-cyclohepta[b]pyrazine
SMILESC1=CCC=C2NC=CNC2=C1
InChIInChI=1S/C9H10N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-2,4-7,10-11H,3H2
InChIKeyYIXTVPCVHZEFRQ-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Tetrahydro 5h cycloheptapyrazine
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1,2-Dihydropyridin-2-ylmethanamine
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1-(1,2-dihydropyridin-2-yl)-N,N-dimethylmethanamine
CID 18707117
2-(1,4-dihydropyridin-2-yl)-1-methyl-4H-pyridine
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1,4-Dihydropyridin-2-ylmethanamine
CID 19828689
2-(1,2-Dihydropyridin-6-yl)-1,2-dihydropyridine
CID 20587029
2-(1,2-Dihydropyridin-2-yl)-1,2-dihydropyridine
CID 20770127
3a,4-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 22058767
(2Z)-2-(1,2-dihydropyridin-2-ylmethylidene)pyridin-1-ide
CID 59121116
(2Z)-2-(1,2-dihydropyridin-2-ylmethylidene)-1H-pyridine
CID 59121117

Frequently Asked Questions

What is the IUPAC name of 4,8-dihydro-1H-cyclohepta[b]pyrazine?
The IUPAC name of 4,8-dihydro-1H-cyclohepta[b]pyrazine (CID 123829027) is 4,8-dihydro-1H-cyclohepta[b]pyrazine.
What is the SMILES notation for 4,8-dihydro-1H-cyclohepta[b]pyrazine?
The canonical SMILES for 4,8-dihydro-1H-cyclohepta[b]pyrazine is C1=CCC=C2NC=CNC2=C1.
What is the InChIKey of 4,8-dihydro-1H-cyclohepta[b]pyrazine?
The InChIKey is YIXTVPCVHZEFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-2,4-7,10-11H,3H2.
What are the key properties of 4,8-dihydro-1H-cyclohepta[b]pyrazine?
4,8-dihydro-1H-cyclohepta[b]pyrazine has a molecular weight of 146.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dihydro-1H-cyclohepta[b]pyrazine is sourced from PubChem (CID 123829027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).