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

C8H8N2 — CID 129089540

IUPAC3H-pyrido[1,2-b]pyridazine
SMILESC1=CC2=CCC=NN2C=C1
InChIInChI=1S/C8H8N2/c1-2-7-10-8(4-1)5-3-6-9-10/h1-2,4-7H,3H2
InChIKeyMVTIQQWVBZQBNC-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.65
Rot. Bonds

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

3H-pyrido[1,2-b]pyridazine (PubChem CID 129089540) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3H-pyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name3H-pyrido[1,2-b]pyridazine
PubChem CID129089540
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3H-pyrido[1,2-b]pyridazine
SMILESC1=CC2=CCC=NN2C=C1
InChIInChI=1S/C8H8N2/c1-2-7-10-8(4-1)5-3-6-9-10/h1-2,4-7H,3H2
InChIKeyMVTIQQWVBZQBNC-UHFFFAOYSA-N
XLogP1.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-4H-pyridazine
CID 143910930
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
8-ethynyl-6H-pyrido[1,2-b]pyridazine
CID 123506481
9-methyl-3H-pyrido[1,2-b]pyridazin-9-ium
CID 123739840
(Z)-N-[(2E)-2-butylidene-1-pyridinyl]ethanimine
CID 142427783
3H-pyrido[1,2-b]pyridazine-4-thiol
CID 142909389
2-methyl-3H-pyrido[1,2-b]pyridazine
CID 143334482

Frequently Asked Questions

What is the IUPAC name of 3H-pyrido[1,2-b]pyridazine?
The IUPAC name of 3H-pyrido[1,2-b]pyridazine (CID 129089540) is 3H-pyrido[1,2-b]pyridazine.
What is the SMILES notation for 3H-pyrido[1,2-b]pyridazine?
The canonical SMILES for 3H-pyrido[1,2-b]pyridazine is C1=CC2=CCC=NN2C=C1.
What is the InChIKey of 3H-pyrido[1,2-b]pyridazine?
The InChIKey is MVTIQQWVBZQBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-7-10-8(4-1)5-3-6-9-10/h1-2,4-7H,3H2.
What are the key properties of 3H-pyrido[1,2-b]pyridazine?
3H-pyrido[1,2-b]pyridazine has a molecular weight of 132.17 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrido[1,2-b]pyridazine is sourced from PubChem (CID 129089540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).