9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine

C10H16N2 — CID 167147875

IUPAC9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine
SMILESCC1CCCCC2=CCC=NN21
InChIInChI=1S/C10H16N2/c1-9-5-2-3-6-10-7-4-8-11-12(9)10/h7-9H,2-6H2,1H3
InChIKeyUFRSEKZUWPKIIP-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.52
Rot. Bonds

About 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine

9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine (PubChem CID 167147875) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine.

Molecular Properties

Compound Name9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine
PubChem CID167147875
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine
SMILESCC1CCCCC2=CCC=NN21
InChIInChI=1S/C10H16N2/c1-9-5-2-3-6-10-7-4-8-11-12(9)10/h7-9H,2-6H2,1H3
InChIKeyUFRSEKZUWPKIIP-UHFFFAOYSA-N
XLogP2.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine?
The IUPAC name of 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine (CID 167147875) is 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine.
What is the SMILES notation for 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine?
The canonical SMILES for 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine is CC1CCCCC2=CCC=NN21.
What is the InChIKey of 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine?
The InChIKey is UFRSEKZUWPKIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-9-5-2-3-6-10-7-4-8-11-12(9)10/h7-9H,2-6H2,1H3.
What are the key properties of 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine?
9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine has a molecular weight of 164.25 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,5,6,7,8,9-hexahydropyridazino[1,6-a]azepine is sourced from PubChem (CID 167147875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).