3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine

C9H12N2 — CID 90787223

IUPAC3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine
SMILESC1=CC2=NCCN=C2CCC1
InChIInChI=1S/C9H12N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h2,4H,1,3,5-7H2
InChIKeyWSGWPWVBNVPEAQ-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.62
Rot. Bonds

About 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine

3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine (PubChem CID 90787223) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine.

Molecular Properties

Compound Name3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine
PubChem CID90787223
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine
SMILESC1=CC2=NCCN=C2CCC1
InChIInChI=1S/C9H12N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h2,4H,1,3,5-7H2
InChIKeyWSGWPWVBNVPEAQ-UHFFFAOYSA-N
XLogP1.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,5-Dihydropyridin-6-yl)-2,5-dihydropyridine
CID 56999028
6-bromo-3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine
CID 91118227
6-Propyl-2,3-dihydropyridine
CID 91275486
11-Methylidene-2,5-diazabicyclo[4.4.1]undeca-1,5,7-triene
CID 91418540
N-ethylcyclohex-3-en-1-imine
CID 123229334
6-(2,3-Dihydropyridin-6-yl)-2,3-dihydropyridine
CID 123264807
1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine
CID 123358178
N-prop-2-enylcyclohex-2-en-1-imine
CID 123414549
2-(Cyclohex-2-en-1-ylideneamino)ethanamine
CID 123456351
N-ethylcyclohex-2-en-1-imine
CID 123553730
2-N-ethylcyclohex-3-ene-1,2-diimine
CID 123566482
N-propylcyclohex-2-en-1-imine
CID 123652207

Frequently Asked Questions

What is the IUPAC name of 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine?
The IUPAC name of 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine (CID 90787223) is 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine.
What is the SMILES notation for 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine?
The canonical SMILES for 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine is C1=CC2=NCCN=C2CCC1.
What is the InChIKey of 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine?
The InChIKey is WSGWPWVBNVPEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h2,4H,1,3,5-7H2.
What are the key properties of 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine?
3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine has a molecular weight of 148.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,8,9-tetrahydro-2H-cyclohepta[b]pyrazine is sourced from PubChem (CID 90787223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).