4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one

C9H14ClN3O4 — CID 114439436

IUPAC4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NC(CO)CO)cnn1CCO
InChIInChI=1S/C9H14ClN3O4/c10-8-7(12-6(4-15)5-16)3-11-13(1-2-14)9(8)17/h3,6,12,14-16H,1-2,4-5H2
InChIKeyHKVAPBXAQPWUFB-UHFFFAOYSA-N
MW263.68 g/mol
LogP-1.35
Rot. Bonds6

About 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one

4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114439436) has the molecular formula C9H14ClN3O4 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114439436
Molecular FormulaC9H14ClN3O4
Molecular Weight263.68 g/mol
Exact Mass263.07
IUPAC Name4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NC(CO)CO)cnn1CCO
InChIInChI=1S/C9H14ClN3O4/c10-8-7(12-6(4-15)5-16)3-11-13(1-2-14)9(8)17/h3,6,12,14-16H,1-2,4-5H2
InChIKeyHKVAPBXAQPWUFB-UHFFFAOYSA-N
XLogP-1.35
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-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-(1-hydroxybutan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433179
4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439437
4-chloro-2-(2-hydroxyethyl)-5-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridazin-3-one
CID 114442513
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114439421
4-chloro-2-(2-hydroxyethyl)-5-(1-methylsulfanylpropan-2-ylamino)pyridazin-3-one
CID 114442164
4-chloro-5-(1-cyclopropylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114433340
4-chloro-5-(1-hydroxypentan-3-ylamino)-2-propylpyridazin-3-one
CID 114442887
4-chloro-5-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435007
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
4-chloro-5-[4-(dimethylamino)butan-2-ylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436004
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one (CID 114439436) is 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one is O=c1c(Cl)c(NC(CO)CO)cnn1CCO.
What is the InChIKey of 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is HKVAPBXAQPWUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O4/c10-8-7(12-6(4-15)5-16)3-11-13(1-2-14)9(8)17/h3,6,12,14-16H,1-2,4-5H2.
What are the key properties of 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one?
4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 263.68 g/mol, XLogP of -1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1,3-dihydroxypropan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114439436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).