9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium

C9H11N2+ — CID 123739840

IUPAC9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium
SMILESC[N+]12C=CC=CC1=CCC=N2
InChIInChI=1S/C9H11N2/c1-11-8-3-2-5-9(11)6-4-7-10-11/h2-3,5-8H,4H2,1H3/q+1
InChIKeyFVHBGMXCFKPMRJ-UHFFFAOYSA-N
MW147.20 g/mol
LogP1.79
Rot. Bonds

About 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium

9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium (PubChem CID 123739840) has the molecular formula C9H11N2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium.

Molecular Properties

Compound Name9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium
PubChem CID123739840
Molecular FormulaC9H11N2+
Molecular Weight147.20 g/mol
Exact Mass147.09
IUPAC Name9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium
SMILESC[N+]12C=CC=CC1=CCC=N2
InChIInChI=1S/C9H11N2/c1-11-8-3-2-5-9(11)6-4-7-10-11/h2-3,5-8H,4H2,1H3/q+1
InChIKeyFVHBGMXCFKPMRJ-UHFFFAOYSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284052
7-Methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 59284144
3,3-Dimethylpyrido[1,2-b]pyridazine
CID 68332893
Ethane;5-methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 91443773
3-Methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 117711234
3-methyl-3H-pyrido[1,2-b]pyridazine
CID 123373938
3H-pyrido[1,2-b]pyridazine
CID 129089540
(Z)-N-[(2E)-2-butylidene-1-pyridinyl]ethanimine
CID 142427783
(2Z,4Z)-N-ethenyl-N-[(Z)-ethylideneamino]hepta-2,4-dien-4-amine;2-methylpropane
CID 142875403
3H-pyrido[1,2-b]pyridazine-4-thiol
CID 142909389
2-methyl-3H-pyrido[1,2-b]pyridazine
CID 143334482
6,6-Dimethylpyrido[1,2-b]pyridazine
CID 143411802

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium?
The IUPAC name of 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium (CID 123739840) is 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium.
What is the SMILES notation for 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium?
The canonical SMILES for 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium is C[N+]12C=CC=CC1=CCC=N2.
What is the InChIKey of 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium?
The InChIKey is FVHBGMXCFKPMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2/c1-11-8-3-2-5-9(11)6-4-7-10-11/h2-3,5-8H,4H2,1H3/q+1.
What are the key properties of 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium?
9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium has a molecular weight of 147.20 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium is sourced from PubChem (CID 123739840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).