N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine

C18H17ClN4 — CID 6419385

IUPACN-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
SMILESCc1c(Cc2ccncc2)nnc(Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H17ClN4/c1-12-13(2)18(21-16-5-3-15(19)4-6-16)23-22-17(12)11-14-7-9-20-10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyISZLWQNNDFZBEE-UHFFFAOYSA-N
MW324.82 g/mol
LogP4.48
Rot. Bonds4

About N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine

N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine (PubChem CID 6419385) has the molecular formula C18H17ClN4 and a molecular weight of 324.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
PubChem CID6419385
Molecular FormulaC18H17ClN4
Molecular Weight324.82 g/mol
Exact Mass324.11
IUPAC NameN-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
SMILESCc1c(Cc2ccncc2)nnc(Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C18H17ClN4/c1-12-13(2)18(21-16-5-3-15(19)4-6-16)23-22-17(12)11-14-7-9-20-10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyISZLWQNNDFZBEE-UHFFFAOYSA-N
XLogP4.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine (CID 6419385) is N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine is Cc1c(Cc2ccncc2)nnc(Nc2ccc(Cl)cc2)c1C.
What is the InChIKey of N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine?
The InChIKey is ISZLWQNNDFZBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4/c1-12-13(2)18(21-16-5-3-15(19)4-6-16)23-22-17(12)11-14-7-9-20-10-8-14/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine?
N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine has a molecular weight of 324.82 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 6419385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).