3-methyl-3H-pyrido[1,2-b]pyridazine

C9H10N2 — CID 123373938

IUPAC3-methyl-3H-pyrido[1,2-b]pyridazine
SMILESCC1C=NN2C=CC=CC2=C1
InChIInChI=1S/C9H10N2/c1-8-6-9-4-2-3-5-11(9)10-7-8/h2-8H,1H3
InChIKeyGHEMEDWJAWIRFM-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.89
Rot. Bonds

About 3-methyl-3H-pyrido[1,2-b]pyridazine

3-methyl-3H-pyrido[1,2-b]pyridazine (PubChem CID 123373938) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-methyl-3H-pyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methyl-3H-pyrido[1,2-b]pyridazine
PubChem CID123373938
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3-methyl-3H-pyrido[1,2-b]pyridazine
SMILESCC1C=NN2C=CC=CC2=C1
InChIInChI=1S/C9H10N2/c1-8-6-9-4-2-3-5-11(9)10-7-8/h2-8H,1H3
InChIKeyGHEMEDWJAWIRFM-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N-(4-fluoro-5-methyl-2-methylidene-1-pyridinyl)ethanimine
CID 166858571
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
2-[(2E,4Z)-6-methylhepta-2,4-dien-3-yl]-3,4-dihydropyrazole
CID 89382698
1,4,4-Trimethyl-7-methylidenediazepine
CID 91299695
Ethane;5-methyl-6-methylidenepyrido[1,2-b]pyridazine
CID 91443773
3-Methyl-3,4-dihydropyrido[1,2-b]diazepine
CID 117711234
3,6-Dimethyl-3,4-dihydropyrido[1,2-b]diazepine
CID 123184632
3-Methyl-3-propan-2-ylpyrido[1,2-b]pyridazine
CID 123487963
9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium
CID 123739840
3H-pyrido[1,2-b]pyridazine
CID 129089540

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3H-pyrido[1,2-b]pyridazine?
The IUPAC name of 3-methyl-3H-pyrido[1,2-b]pyridazine (CID 123373938) is 3-methyl-3H-pyrido[1,2-b]pyridazine.
What is the SMILES notation for 3-methyl-3H-pyrido[1,2-b]pyridazine?
The canonical SMILES for 3-methyl-3H-pyrido[1,2-b]pyridazine is CC1C=NN2C=CC=CC2=C1.
What is the InChIKey of 3-methyl-3H-pyrido[1,2-b]pyridazine?
The InChIKey is GHEMEDWJAWIRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-8-6-9-4-2-3-5-11(9)10-7-8/h2-8H,1H3.
What are the key properties of 3-methyl-3H-pyrido[1,2-b]pyridazine?
3-methyl-3H-pyrido[1,2-b]pyridazine has a molecular weight of 146.19 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3H-pyrido[1,2-b]pyridazine is sourced from PubChem (CID 123373938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).