4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride

C18H25ClN4 — CID 45265464

IUPAC4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCCCC1.Cl
InChIInChI=1S/C18H24N4.ClH/c1-15-14-17(16-8-4-2-5-9-16)20-21-18(15)19-10-13-22-11-6-3-7-12-22;/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21);1H
InChIKeyDMQMZXSQBGQZAL-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.77
Rot. Bonds5

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

4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride (PubChem CID 45265464) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride
PubChem CID45265464
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC Name4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride
SMILESCc1cc(-c2ccccc2)nnc1NCCN1CCCCC1.Cl
InChIInChI=1S/C18H24N4.ClH/c1-15-14-17(16-8-4-2-5-9-16)20-21-18(15)19-10-13-22-11-6-3-7-12-22;/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21);1H
InChIKeyDMQMZXSQBGQZAL-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.77
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-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride (CID 45265464) is 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride is Cc1cc(-c2ccccc2)nnc1NCCN1CCCCC1.Cl.
What is the InChIKey of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride?
The InChIKey is DMQMZXSQBGQZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.ClH/c1-15-14-17(16-8-4-2-5-9-16)20-21-18(15)19-10-13-22-11-6-3-7-12-22;/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3,(H,19,21);1H.
What are the key properties of 4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride?
4-methyl-6-phenyl-N-(2-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.77, 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-piperidin-1-ylethyl)pyridazin-3-amine;hydrochloride is sourced from PubChem (CID 45265464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).