3-pyridin-3-yl-1,6-dihydropyridazine

C9H9N3 — CID 142411024

IUPAC3-pyridin-3-yl-1,6-dihydropyridazine
SMILESC1=CC(c2cccnc2)=NNC1
InChIInChI=1S/C9H9N3/c1-3-8(7-10-5-1)9-4-2-6-11-12-9/h1-5,7,11H,6H2
InChIKeyKSTIIUNCJWMYIL-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.95
Rot. Bonds1

About 3-pyridin-3-yl-1,6-dihydropyridazine

3-pyridin-3-yl-1,6-dihydropyridazine (PubChem CID 142411024) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-pyridin-3-yl-1,6-dihydropyridazine.

Molecular Properties

Compound Name3-pyridin-3-yl-1,6-dihydropyridazine
PubChem CID142411024
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-pyridin-3-yl-1,6-dihydropyridazine
SMILESC1=CC(c2cccnc2)=NNC1
InChIInChI=1S/C9H9N3/c1-3-8(7-10-5-1)9-4-2-6-11-12-9/h1-5,7,11H,6H2
InChIKeyKSTIIUNCJWMYIL-UHFFFAOYSA-N
XLogP0.95
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1,6-dihydropyridazine?
The IUPAC name of 3-pyridin-3-yl-1,6-dihydropyridazine (CID 142411024) is 3-pyridin-3-yl-1,6-dihydropyridazine.
What is the SMILES notation for 3-pyridin-3-yl-1,6-dihydropyridazine?
The canonical SMILES for 3-pyridin-3-yl-1,6-dihydropyridazine is C1=CC(c2cccnc2)=NNC1.
What is the InChIKey of 3-pyridin-3-yl-1,6-dihydropyridazine?
The InChIKey is KSTIIUNCJWMYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-3-8(7-10-5-1)9-4-2-6-11-12-9/h1-5,7,11H,6H2.
What are the key properties of 3-pyridin-3-yl-1,6-dihydropyridazine?
3-pyridin-3-yl-1,6-dihydropyridazine has a molecular weight of 159.19 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1,6-dihydropyridazine is sourced from PubChem (CID 142411024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).