5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one

C10H17ClN4O2 — CID 114444841

IUPAC5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC(N)CCNc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O2/c1-7(12)2-3-13-8-6-14-15(4-5-16)10(17)9(8)11/h6-7,13,16H,2-5,12H2,1H3
InChIKeyAIFHDBWMGQAGGH-UHFFFAOYSA-N
MW260.73 g/mol
LogP0.04
Rot. Bonds6

About 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one

5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114444841) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114444841
Molecular FormulaC10H17ClN4O2
Molecular Weight260.73 g/mol
Exact Mass260.10
IUPAC Name5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCC(N)CCNc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O2/c1-7(12)2-3-13-8-6-14-15(4-5-16)10(17)9(8)11/h6-7,13,16H,2-5,12H2,1H3
InChIKeyAIFHDBWMGQAGGH-UHFFFAOYSA-N
XLogP0.04
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]acetamide
CID 114431801
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
4-chloro-5-[2-(4-chlorophenyl)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435208
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-2-(2-hydroxyethyl)-5-[2-(1,3-thiazol-2-yl)ethylamino]pyridazin-3-one
CID 114437671
4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
CID 114441017
5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442428

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one (CID 114444841) is 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one is CC(N)CCNc1cnn(CCO)c(=O)c1Cl.
What is the InChIKey of 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is AIFHDBWMGQAGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-7(12)2-3-13-8-6-14-15(4-5-16)10(17)9(8)11/h6-7,13,16H,2-5,12H2,1H3.
What are the key properties of 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 260.73 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114444841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).