2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one

C10H16ClN3O2 — CID 114432696

IUPAC2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCCO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-2-3-5-14-10(16)9(11)8(7-13-14)12-4-6-15/h7,12,15H,2-6H2,1H3
InChIKeyWMASQDGOHKYQPN-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.10
Rot. Bonds6

About 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one

2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one (PubChem CID 114432696) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
PubChem CID114432696
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCCO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-2-3-5-14-10(16)9(11)8(7-13-14)12-4-6-15/h7,12,15H,2-6H2,1H3
InChIKeyWMASQDGOHKYQPN-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549
2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440306
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442428
3-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114441609
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
CID 114441017
2-butyl-4-chloro-5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 106248206

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one (CID 114432696) is 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one is CCCCn1ncc(NCCO)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one?
The InChIKey is WMASQDGOHKYQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-2-3-5-14-10(16)9(11)8(7-13-14)12-4-6-15/h7,12,15H,2-6H2,1H3.
What are the key properties of 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one?
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one has a molecular weight of 245.71 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one is sourced from PubChem (CID 114432696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).