4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride

C15H19ClN4O — CID 2843288

IUPAC4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride
SMILESCl.Nc1c(N2CCCCC2)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C15H18N4O.ClH/c16-14-13(18-9-5-2-6-10-18)11-17-19(15(14)20)12-7-3-1-4-8-12;/h1,3-4,7-8,11H,2,5-6,9-10,16H2;1H
InChIKeySYHKBNDBLQIHNX-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.23
Rot. Bonds2

About 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride

4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride (PubChem CID 2843288) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride.

Molecular Properties

Compound Name4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride
PubChem CID2843288
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride
SMILESCl.Nc1c(N2CCCCC2)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C15H18N4O.ClH/c16-14-13(18-9-5-2-6-10-18)11-17-19(15(14)20)12-7-3-1-4-8-12;/h1,3-4,7-8,11H,2,5-6,9-10,16H2;1H
InChIKeySYHKBNDBLQIHNX-UHFFFAOYSA-N
XLogP2.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride?
The IUPAC name of 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride (CID 2843288) is 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride.
What is the SMILES notation for 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride?
The canonical SMILES for 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride is Cl.Nc1c(N2CCCCC2)cnn(-c2ccccc2)c1=O.
What is the InChIKey of 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride?
The InChIKey is SYHKBNDBLQIHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c16-14-13(18-9-5-2-6-10-18)11-17-19(15(14)20)12-7-3-1-4-8-12;/h1,3-4,7-8,11H,2,5-6,9-10,16H2;1H.
What are the key properties of 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride?
4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-phenyl-5-piperidin-1-ylpyridazin-3-one;hydrochloride is sourced from PubChem (CID 2843288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).