3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine

C19H17N3S — CID 56678750

IUPAC3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine
SMILESc1ccc(-c2ccc(SC3CCCc4ccccc43)nn2)nc1
InChIInChI=1S/C19H17N3S/c1-2-8-15-14(6-1)7-5-10-18(15)23-19-12-11-17(21-22-19)16-9-3-4-13-20-16/h1-4,6,8-9,11-13,18H,5,7,10H2
InChIKeyBVNWEMBLNBBWQD-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.71
Rot. Bonds3

About 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine

3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine (PubChem CID 56678750) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine
PubChem CID56678750
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine
SMILESc1ccc(-c2ccc(SC3CCCc4ccccc43)nn2)nc1
InChIInChI=1S/C19H17N3S/c1-2-8-15-14(6-1)7-5-10-18(15)23-19-12-11-17(21-22-19)16-9-3-4-13-20-16/h1-4,6,8-9,11-13,18H,5,7,10H2
InChIKeyBVNWEMBLNBBWQD-UHFFFAOYSA-N
XLogP4.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine?
The IUPAC name of 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine (CID 56678750) is 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine.
What is the SMILES notation for 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine?
The canonical SMILES for 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine is c1ccc(-c2ccc(SC3CCCc4ccccc43)nn2)nc1.
What is the InChIKey of 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine?
The InChIKey is BVNWEMBLNBBWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-2-8-15-14(6-1)7-5-10-18(15)23-19-12-11-17(21-22-19)16-9-3-4-13-20-16/h1-4,6,8-9,11-13,18H,5,7,10H2.
What are the key properties of 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine?
3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine has a molecular weight of 319.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-6-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)pyridazine is sourced from PubChem (CID 56678750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).