8-ethynyl-6H-pyrido[1,2-b]pyridazine

C10H8N2 — CID 123506481

IUPAC8-ethynyl-6H-pyrido[1,2-b]pyridazine
SMILESC#CC1=CCC=C2C=CC=NN12
InChIInChI=1S/C10H8N2/c1-2-9-5-3-6-10-7-4-8-11-12(9)10/h1,4-8H,3H2
InChIKeyHXLBFZTWTUJQBR-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.65
Rot. Bonds

About 8-ethynyl-6H-pyrido[1,2-b]pyridazine

8-ethynyl-6H-pyrido[1,2-b]pyridazine (PubChem CID 123506481) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 8-ethynyl-6H-pyrido[1,2-b]pyridazine.

Molecular Properties

Compound Name8-ethynyl-6H-pyrido[1,2-b]pyridazine
PubChem CID123506481
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name8-ethynyl-6H-pyrido[1,2-b]pyridazine
SMILESC#CC1=CCC=C2C=CC=NN12
InChIInChI=1S/C10H8N2/c1-2-9-5-3-6-10-7-4-8-11-12(9)10/h1,4-8H,3H2
InChIKeyHXLBFZTWTUJQBR-UHFFFAOYSA-N
XLogP1.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Hexa-3,5-dien-1-yn-3-yl-6-methylidenepyridazine
CID 123312557
6-Methylidene-1-prop-2-ynylpyridazine
CID 123473401
1-(5-Methylhept-3-en-1-yn-3-yl)-6-methylidenepyridazine
CID 123896861
3H-pyrido[1,2-b]pyridazine
CID 129089540
1-[(Z)-5-methylhex-3-en-1-yn-3-yl]-6-methylidenepyridazine
CID 145668185
6-methylidene-1-[(Z)-pent-3-en-1-yn-3-yl]pyridazine
CID 155229004

Frequently Asked Questions

What is the IUPAC name of 8-ethynyl-6H-pyrido[1,2-b]pyridazine?
The IUPAC name of 8-ethynyl-6H-pyrido[1,2-b]pyridazine (CID 123506481) is 8-ethynyl-6H-pyrido[1,2-b]pyridazine.
What is the SMILES notation for 8-ethynyl-6H-pyrido[1,2-b]pyridazine?
The canonical SMILES for 8-ethynyl-6H-pyrido[1,2-b]pyridazine is C#CC1=CCC=C2C=CC=NN12.
What is the InChIKey of 8-ethynyl-6H-pyrido[1,2-b]pyridazine?
The InChIKey is HXLBFZTWTUJQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-9-5-3-6-10-7-4-8-11-12(9)10/h1,4-8H,3H2.
What are the key properties of 8-ethynyl-6H-pyrido[1,2-b]pyridazine?
8-ethynyl-6H-pyrido[1,2-b]pyridazine has a molecular weight of 156.19 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 8-ethynyl-6H-pyrido[1,2-b]pyridazine is sourced from PubChem (CID 123506481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).