8-methyl-8H-pyridazino[4,3-c]azepine

C9H9N3 — CID 89075684

IUPAC8-methyl-8H-pyridazino[4,3-c]azepine
SMILESCC1C=NC=c2ccnnc2=C1
InChIInChI=1S/C9H9N3/c1-7-4-9-8(6-10-5-7)2-3-11-12-9/h2-7H,1H3
InChIKeyRQLWMVOIQLGCRM-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.28
Rot. Bonds

About 8-methyl-8H-pyridazino[4,3-c]azepine

8-methyl-8H-pyridazino[4,3-c]azepine (PubChem CID 89075684) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 8-methyl-8H-pyridazino[4,3-c]azepine.

Molecular Properties

Compound Name8-methyl-8H-pyridazino[4,3-c]azepine
PubChem CID89075684
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name8-methyl-8H-pyridazino[4,3-c]azepine
SMILESCC1C=NC=c2ccnnc2=C1
InChIInChI=1S/C9H9N3/c1-7-4-9-8(6-10-5-7)2-3-11-12-9/h2-7H,1H3
InChIKeyRQLWMVOIQLGCRM-UHFFFAOYSA-N
XLogP-0.28
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8H-pyridazino[4,3-c]azepine?
The IUPAC name of 8-methyl-8H-pyridazino[4,3-c]azepine (CID 89075684) is 8-methyl-8H-pyridazino[4,3-c]azepine.
What is the SMILES notation for 8-methyl-8H-pyridazino[4,3-c]azepine?
The canonical SMILES for 8-methyl-8H-pyridazino[4,3-c]azepine is CC1C=NC=c2ccnnc2=C1.
What is the InChIKey of 8-methyl-8H-pyridazino[4,3-c]azepine?
The InChIKey is RQLWMVOIQLGCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-7-4-9-8(6-10-5-7)2-3-11-12-9/h2-7H,1H3.
What are the key properties of 8-methyl-8H-pyridazino[4,3-c]azepine?
8-methyl-8H-pyridazino[4,3-c]azepine has a molecular weight of 159.19 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8H-pyridazino[4,3-c]azepine is sourced from PubChem (CID 89075684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).