6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride

C18H26Cl2N4O2 — CID 6410837

IUPAC6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
SMILESCOc1cccc(-c2cc(C)c(NCCN3CCOCC3)nn2)c1.Cl.Cl
InChIInChI=1S/C18H24N4O2.2ClH/c1-14-12-17(15-4-3-5-16(13-15)23-2)20-21-18(14)19-6-7-22-8-10-24-11-9-22;;/h3-5,12-13H,6-11H2,1-2H3,(H,19,21);2*1H
InChIKeyAURJPILINFYQFV-UHFFFAOYSA-N
MW401.34 g/mol
LogP3.05
Rot. Bonds6

About 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride

6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride (PubChem CID 6410837) has the molecular formula C18H26Cl2N4O2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
PubChem CID6410837
Molecular FormulaC18H26Cl2N4O2
Molecular Weight401.34 g/mol
Exact Mass400.14
IUPAC Name6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
SMILESCOc1cccc(-c2cc(C)c(NCCN3CCOCC3)nn2)c1.Cl.Cl
InChIInChI=1S/C18H24N4O2.2ClH/c1-14-12-17(15-4-3-5-16(13-15)23-2)20-21-18(14)19-6-7-22-8-10-24-11-9-22;;/h3-5,12-13H,6-11H2,1-2H3,(H,19,21);2*1H
InChIKeyAURJPILINFYQFV-UHFFFAOYSA-N
XLogP3.05
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride?
The IUPAC name of 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride (CID 6410837) is 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride.
What is the SMILES notation for 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride?
The canonical SMILES for 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride is COc1cccc(-c2cc(C)c(NCCN3CCOCC3)nn2)c1.Cl.Cl.
What is the InChIKey of 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride?
The InChIKey is AURJPILINFYQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.2ClH/c1-14-12-17(15-4-3-5-16(13-15)23-2)20-21-18(14)19-6-7-22-8-10-24-11-9-22;;/h3-5,12-13H,6-11H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride?
6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride has a molecular weight of 401.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride is sourced from PubChem (CID 6410837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).