3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine

C16H16ClN3 — CID 6410416

IUPAC3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
SMILESCc1cccc(C2=CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C16H16ClN3/c1-12-3-2-4-14(11-12)13-7-9-20(10-8-13)16-6-5-15(17)18-19-16/h2-7,11H,8-10H2,1H3
InChIKeyZFEMBLOGBQVWKR-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.73
Rot. Bonds2

About 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine

3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine (PubChem CID 6410416) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
PubChem CID6410416
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine
SMILESCc1cccc(C2=CCN(c3ccc(Cl)nn3)CC2)c1
InChIInChI=1S/C16H16ClN3/c1-12-3-2-4-14(11-12)13-7-9-20(10-8-13)16-6-5-15(17)18-19-16/h2-7,11H,8-10H2,1H3
InChIKeyZFEMBLOGBQVWKR-UHFFFAOYSA-N
XLogP3.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine (CID 6410416) is 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine is Cc1cccc(C2=CCN(c3ccc(Cl)nn3)CC2)c1.
What is the InChIKey of 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine?
The InChIKey is ZFEMBLOGBQVWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-12-3-2-4-14(11-12)13-7-9-20(10-8-13)16-6-5-15(17)18-19-16/h2-7,11H,8-10H2,1H3.
What are the key properties of 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine?
3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine has a molecular weight of 285.78 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine is sourced from PubChem (CID 6410416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).