3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one

C15H20ClN3O3 — CID 11602285

IUPAC3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@H](O)CNCCOc1ccc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-10(20)9-17-6-7-22-14-4-2-11(8-12(14)16)13-3-5-15(21)19-18-13/h2,4,8,10,17,20H,3,5-7,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyXGMXAVQKGDUGPN-JTQLQIEISA-N
MW325.80 g/mol
LogP1.30
Rot. Bonds7

About 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 11602285) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID11602285
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@H](O)CNCCOc1ccc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-10(20)9-17-6-7-22-14-4-2-11(8-12(14)16)13-3-5-15(21)19-18-13/h2,4,8,10,17,20H,3,5-7,9H2,1H3,(H,19,21)/t10-/m0/s1
InChIKeyXGMXAVQKGDUGPN-JTQLQIEISA-N
XLogP1.30
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one 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 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 11602285) is 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one is C[C@H](O)CNCCOc1ccc(C2=NNC(=O)CC2)cc1Cl.
What is the InChIKey of 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XGMXAVQKGDUGPN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-10(20)9-17-6-7-22-14-4-2-11(8-12(14)16)13-3-5-15(21)19-18-13/h2,4,8,10,17,20H,3,5-7,9H2,1H3,(H,19,21)/t10-/m0/s1.
What are the key properties of 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 325.80 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 11602285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).