4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one

C10H16ClN3O3 — CID 114439819

IUPAC4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(O)CO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O3/c1-2-3-14-10(17)9(11)8(5-13-14)12-4-7(16)6-15/h5,7,12,15-16H,2-4,6H2,1H3
InChIKeyUCJSTSNEMAEKFZ-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.07
Rot. Bonds6

About 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one

4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one (PubChem CID 114439819) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one
PubChem CID114439819
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(O)CO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O3/c1-2-3-14-10(17)9(11)8(5-13-14)12-4-7(16)6-15/h5,7,12,15-16H,2-4,6H2,1H3
InChIKeyUCJSTSNEMAEKFZ-UHFFFAOYSA-N
XLogP0.07
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

4-Chloro-5-[(3,3-difluoro-2-hydroxypropyl)amino]-2-methylpyridazin-3-one
CID 103731264
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 104858548
4-Chloro-2-propan-2-yl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 105646817
4-Chloro-2-[2-(dimethylamino)ethyl]-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 105646819
2-Butyl-4-chloro-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 105646826
4-Chloro-2-(2-methylpropyl)-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 105646868
4-Chloro-2-propyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 105646921
4-Chloro-2-(2,2,2-trifluoroethyl)-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 105647084
4-Chloro-2-(2-hydroxyethyl)-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 105647141
4-Chloro-5-[(3,3-difluoro-2-hydroxypropyl)amino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 105647409
2-Butyl-4-chloro-5-[(3,3-difluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 105647414
4-Chloro-5-[(3,3-difluoro-2-hydroxypropyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 105647486

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one (CID 114439819) is 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one is CCCn1ncc(NCC(O)CO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one?
The InChIKey is UCJSTSNEMAEKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-2-3-14-10(17)9(11)8(5-13-14)12-4-7(16)6-15/h5,7,12,15-16H,2-4,6H2,1H3.
What are the key properties of 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one?
4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one has a molecular weight of 261.71 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114439819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).