4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride

C17H24Cl2N4 — CID 3088560

IUPAC4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCCC1.Cl.Cl
InChIInChI=1S/C17H22N4.2ClH/c1-14-13-16(15-7-3-2-4-8-15)19-20-17(14)18-9-12-21-10-5-6-11-21;;/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,18,20);2*1H
InChIKeyVNFPPBAUIPFKFI-UHFFFAOYSA-N
MW355.31 g/mol
LogP3.80
Rot. Bonds5

About 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride

4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride (PubChem CID 3088560) has the molecular formula C17H24Cl2N4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride
PubChem CID3088560
Molecular FormulaC17H24Cl2N4
Molecular Weight355.31 g/mol
Exact Mass354.14
IUPAC Name4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCCC1.Cl.Cl
InChIInChI=1S/C17H22N4.2ClH/c1-14-13-16(15-7-3-2-4-8-15)19-20-17(14)18-9-12-21-10-5-6-11-21;;/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,18,20);2*1H
InChIKeyVNFPPBAUIPFKFI-UHFFFAOYSA-N
XLogP3.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride?
The IUPAC name of 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride (CID 3088560) is 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride.
What is the SMILES notation for 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride?
The canonical SMILES for 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride is Cc1cc(-c2ccccc2)nnc1NCCN1CCCC1.Cl.Cl.
What is the InChIKey of 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride?
The InChIKey is VNFPPBAUIPFKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4.2ClH/c1-14-13-16(15-7-3-2-4-8-15)19-20-17(14)18-9-12-21-10-5-6-11-21;;/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,18,20);2*1H.
What are the key properties of 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride?
4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride has a molecular weight of 355.31 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine;dihydrochloride is sourced from PubChem (CID 3088560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).