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

C10H12N2 — CID 123760911

IUPAC7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine
SMILESCC1=CC=C2NC=CNC2=CC1
InChIInChI=1S/C10H12N2/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h2,4-7,11-12H,3H2,1H3
InChIKeyIGKAJKHXDHSMQO-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.77
Rot. Bonds

About 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine

7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine (PubChem CID 123760911) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine.

Molecular Properties

Compound Name7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine
PubChem CID123760911
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine
SMILESCC1=CC=C2NC=CNC2=CC1
InChIInChI=1S/C10H12N2/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h2,4-7,11-12H,3H2,1H3
InChIKeyIGKAJKHXDHSMQO-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine?
The IUPAC name of 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine (CID 123760911) is 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine.
What is the SMILES notation for 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine?
The canonical SMILES for 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine is CC1=CC=C2NC=CNC2=CC1.
What is the InChIKey of 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine?
The InChIKey is IGKAJKHXDHSMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-2-4-9-10(5-3-8)12-7-6-11-9/h2,4-7,11-12H,3H2,1H3.
What are the key properties of 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine?
7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine has a molecular weight of 160.22 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4,8-dihydro-1H-cyclohepta[b]pyrazine is sourced from PubChem (CID 123760911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).