3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper

C16H14ClCuN4 — CID 69390667

IUPAC3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
SMILESCc1cccc(-c2ccc(-c3cccc(C)n3)nn2)n1.Cl[Cu]
InChIInChI=1S/C16H14N4.ClH.Cu/c1-11-5-3-7-13(17-11)15-9-10-16(20-19-15)14-8-4-6-12(2)18-14;;/h3-10H,1-2H3;1H;/q;;+1/p-1
InChIKeyBDHVSHWYLWLGBF-UHFFFAOYSA-M
MW361.32 g/mol
LogP3.90
Rot. Bonds2

About 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper

3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper (PubChem CID 69390667) has the molecular formula C16H14ClCuN4 and a molecular weight of 361.32 g/mol. Its IUPAC name is 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper.

Molecular Properties

Compound Name3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
PubChem CID69390667
Molecular FormulaC16H14ClCuN4
Molecular Weight361.32 g/mol
Exact Mass360.02
IUPAC Name3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper
SMILESCc1cccc(-c2ccc(-c3cccc(C)n3)nn2)n1.Cl[Cu]
InChIInChI=1S/C16H14N4.ClH.Cu/c1-11-5-3-7-13(17-11)15-9-10-16(20-19-15)14-8-4-6-12(2)18-14;;/h3-10H,1-2H3;1H;/q;;+1/p-1
InChIKeyBDHVSHWYLWLGBF-UHFFFAOYSA-M
XLogP3.90
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper?
The IUPAC name of 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper (CID 69390667) is 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper.
What is the SMILES notation for 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper?
The canonical SMILES for 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper is Cc1cccc(-c2ccc(-c3cccc(C)n3)nn2)n1.Cl[Cu].
What is the InChIKey of 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper?
The InChIKey is BDHVSHWYLWLGBF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N4.ClH.Cu/c1-11-5-3-7-13(17-11)15-9-10-16(20-19-15)14-8-4-6-12(2)18-14;;/h3-10H,1-2H3;1H;/q;;+1/p-1.
What are the key properties of 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper?
3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper has a molecular weight of 361.32 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(6-methyl-2-pyridinyl)pyridazine;chlorocopper is sourced from PubChem (CID 69390667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).