2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one

C8H13N3O3 — CID 103218588

IUPAC2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C8H13N3O3/c1-9-6-2-8(14)11(10-3-6)4-7(13)5-12/h2-3,7,9,12-13H,4-5H2,1H3
InChIKeyHKYFEVJBRJOCCO-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.36
Rot. Bonds4

About 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one

2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one (PubChem CID 103218588) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one
PubChem CID103218588
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CC(O)CO)c(=O)c1
InChIInChI=1S/C8H13N3O3/c1-9-6-2-8(14)11(10-3-6)4-7(13)5-12/h2-3,7,9,12-13H,4-5H2,1H3
InChIKeyHKYFEVJBRJOCCO-UHFFFAOYSA-N
XLogP-1.36
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-(2,3-dihydroxypropylamino)-2-i-propyl-3(2H)pyridazinone
CID 13987839
4-Chloro-5-(2,3-dihydroxypropylamino)-2-ethylpyridazin-3-one
CID 14302809
4-Chloro-5-(2,3-dihydroxypropylamino)-2-propylpyridazin-3-one
CID 114439819
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-(2-Hydroxyethylamino)-2-methylpyridazin-3-one
CID 85866137
5-Amino-2-(3-hydroxypropyl)pyridazin-3-one
CID 103218258
5-Amino-2-(2,3-dihydroxypropyl)pyridazin-3-one
CID 103218304
5-Amino-2-(3-hydroxy-2-methylpropyl)pyridazin-3-one
CID 103218313
5-Amino-2-(2-hydroxypropyl)pyridazin-3-one
CID 103218365
5-Amino-2-(2-methoxypropyl)pyridazin-3-one
CID 103218443
2-(2-Hydroxyethyl)-5-(methylamino)pyridazin-3-one
CID 103218461
2-(3-Methoxypropyl)-5-(methylamino)pyridazin-3-one
CID 103218485

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one (CID 103218588) is 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one is CNc1cnn(CC(O)CO)c(=O)c1.
What is the InChIKey of 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one?
The InChIKey is HKYFEVJBRJOCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-9-6-2-8(14)11(10-3-6)4-7(13)5-12/h2-3,7,9,12-13H,4-5H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one?
2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one has a molecular weight of 199.21 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropyl)-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).