3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine

C16H15Cl2N3 — CID 88699252

IUPAC3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine
SMILESCC1=C(c2cccc(Cl)c2)CC(c2ccc(Cl)nn2)NC1
InChIInChI=1S/C16H15Cl2N3/c1-10-9-19-15(14-5-6-16(18)21-20-14)8-13(10)11-3-2-4-12(17)7-11/h2-7,15,19H,8-9H2,1H3
InChIKeyNRHRWPNQXGTYBB-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.29
Rot. Bonds2

About 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine

3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine (PubChem CID 88699252) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine
PubChem CID88699252
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine
SMILESCC1=C(c2cccc(Cl)c2)CC(c2ccc(Cl)nn2)NC1
InChIInChI=1S/C16H15Cl2N3/c1-10-9-19-15(14-5-6-16(18)21-20-14)8-13(10)11-3-2-4-12(17)7-11/h2-7,15,19H,8-9H2,1H3
InChIKeyNRHRWPNQXGTYBB-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine (CID 88699252) is 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine is CC1=C(c2cccc(Cl)c2)CC(c2ccc(Cl)nn2)NC1.
What is the InChIKey of 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine?
The InChIKey is NRHRWPNQXGTYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-9-19-15(14-5-6-16(18)21-20-14)8-13(10)11-3-2-4-12(17)7-11/h2-7,15,19H,8-9H2,1H3.
What are the key properties of 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine?
3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine has a molecular weight of 320.22 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(3-chlorophenyl)-5-methyl-1,2,3,6-tetrahydropyridin-2-yl]pyridazine is sourced from PubChem (CID 88699252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).