3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine

C12H15ClN2O — CID 146459243

IUPAC3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine
SMILESCOc1cc(C2=NNC(C)CC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-8-3-6-11(15-14-8)9-4-5-10(13)12(7-9)16-2/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyBNXYKKXNYHRHRR-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.82
Rot. Bonds2

About 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine

3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine (PubChem CID 146459243) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine
PubChem CID146459243
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine
SMILESCOc1cc(C2=NNC(C)CC2)ccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-8-3-6-11(15-14-8)9-4-5-10(13)12(7-9)16-2/h4-5,7-8,14H,3,6H2,1-2H3
InChIKeyBNXYKKXNYHRHRR-UHFFFAOYSA-N
XLogP2.82
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine (CID 146459243) is 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine is COc1cc(C2=NNC(C)CC2)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine?
The InChIKey is BNXYKKXNYHRHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8-3-6-11(15-14-8)9-4-5-10(13)12(7-9)16-2/h4-5,7-8,14H,3,6H2,1-2H3.
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine?
3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine has a molecular weight of 238.72 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-6-methyl-1,4,5,6-tetrahydropyridazine is sourced from PubChem (CID 146459243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).