2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one

C10H17N3O2 — CID 103219396

IUPAC2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCCO)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-8(2)12-9-6-10(15)13(11-7-9)4-3-5-14/h6-8,12,14H,3-5H2,1-2H3
InChIKeyFECBOWJYJHLULP-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.45
Rot. Bonds5

About 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one

2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 103219396) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID103219396
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one
SMILESCC(C)Nc1cnn(CCCO)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-8(2)12-9-6-10(15)13(11-7-9)4-3-5-14/h6-8,12,14H,3-5H2,1-2H3
InChIKeyFECBOWJYJHLULP-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Ethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
5-(Propan-2-ylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219562
5-(Propylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334
4-Chloro-2-ethyl-5-(3-hydroxypropylamino)pyridazin-3-one
CID 13987665
4-Bromo-2-ethyl-5-(3-hydroxypropylamino)pyridazin-3-one
CID 13987666
4-Bromo-5-(3-hydroxypropylamino)-2-propan-2-ylpyridazin-3-one
CID 21285496
4-Chloro-5-(3-hydroxypropylamino)-2-propan-2-ylpyridazin-3-one
CID 21285497
4-Bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one
CID 114432726
4-Chloro-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one
CID 114432730
5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-(2-Hydroxyethylamino)-2-methylpyridazin-3-one
CID 85866137

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one (CID 103219396) is 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one is CC(C)Nc1cnn(CCCO)c(=O)c1.
What is the InChIKey of 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is FECBOWJYJHLULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)12-9-6-10(15)13(11-7-9)4-3-5-14/h6-8,12,14H,3-5H2,1-2H3.
What are the key properties of 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one?
2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 103219396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).