2,3-dihydro-1H-cyclohepta[b]pyrazine

C9H10N2 — CID 14174472

IUPAC2,3-dihydro-1H-cyclohepta[b]pyrazine
SMILESC1=CC=C2NCCN=C2C=C1
InChIInChI=1S/C9H10N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-5,10H,6-7H2
InChIKeyQUMCESBJYUCSPE-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.04
Rot. Bonds

About 2,3-dihydro-1H-cyclohepta[b]pyrazine

2,3-dihydro-1H-cyclohepta[b]pyrazine (PubChem CID 14174472) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,3-dihydro-1H-cyclohepta[b]pyrazine.

Molecular Properties

Compound Name2,3-dihydro-1H-cyclohepta[b]pyrazine
PubChem CID14174472
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2,3-dihydro-1H-cyclohepta[b]pyrazine
SMILESC1=CC=C2NCCN=C2C=C1
InChIInChI=1S/C9H10N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-5,10H,6-7H2
InChIKeyQUMCESBJYUCSPE-UHFFFAOYSA-N
XLogP1.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'colchicine_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-cyclohepta[b]pyrazine?
The IUPAC name of 2,3-dihydro-1H-cyclohepta[b]pyrazine (CID 14174472) is 2,3-dihydro-1H-cyclohepta[b]pyrazine.
What is the SMILES notation for 2,3-dihydro-1H-cyclohepta[b]pyrazine?
The canonical SMILES for 2,3-dihydro-1H-cyclohepta[b]pyrazine is C1=CC=C2NCCN=C2C=C1.
What is the InChIKey of 2,3-dihydro-1H-cyclohepta[b]pyrazine?
The InChIKey is QUMCESBJYUCSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-4-8-9(5-3-1)11-7-6-10-8/h1-5,10H,6-7H2.
What are the key properties of 2,3-dihydro-1H-cyclohepta[b]pyrazine?
2,3-dihydro-1H-cyclohepta[b]pyrazine has a molecular weight of 146.19 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-cyclohepta[b]pyrazine is sourced from PubChem (CID 14174472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).