6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride

C17H25ClN4O — CID 174423430

IUPAC6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
SMILESCNc1c(C)c(-c2ccc(CN)cc2)nn(CC(C)C)c1=O.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-11(2)10-21-17(22)16(19-4)12(3)15(20-21)14-7-5-13(9-18)6-8-14;/h5-8,11,19H,9-10,18H2,1-4H3;1H
InChIKeyQYBLFNKLFBYKQK-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.80
Rot. Bonds5

About 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride

6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride (PubChem CID 174423430) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
PubChem CID174423430
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride
SMILESCNc1c(C)c(-c2ccc(CN)cc2)nn(CC(C)C)c1=O.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-11(2)10-21-17(22)16(19-4)12(3)15(20-21)14-7-5-13(9-18)6-8-14;/h5-8,11,19H,9-10,18H2,1-4H3;1H
InChIKeyQYBLFNKLFBYKQK-UHFFFAOYSA-N
XLogP2.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride?
The IUPAC name of 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride (CID 174423430) is 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride.
What is the SMILES notation for 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride?
The canonical SMILES for 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride is CNc1c(C)c(-c2ccc(CN)cc2)nn(CC(C)C)c1=O.Cl.
What is the InChIKey of 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride?
The InChIKey is QYBLFNKLFBYKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-11(2)10-21-17(22)16(19-4)12(3)15(20-21)14-7-5-13(9-18)6-8-14;/h5-8,11,19H,9-10,18H2,1-4H3;1H.
What are the key properties of 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride?
6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(aminomethyl)phenyl]-5-methyl-4-(methylamino)-2-(2-methylpropyl)pyridazin-3-one;hydrochloride is sourced from PubChem (CID 174423430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).