2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one

C12H18ClN3O2 — CID 114439715

IUPAC2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CC(O)C2)c(Cl)c1=O
InChIInChI=1S/C12H18ClN3O2/c1-2-3-4-16-12(18)11(13)10(7-14-16)15-8-5-9(17)6-8/h7-9,15,17H,2-6H2,1H3
InChIKeyFLGMJTSERBAPBG-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.63
Rot. Bonds5

About 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one

2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one (PubChem CID 114439715) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
PubChem CID114439715
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CC(O)C2)c(Cl)c1=O
InChIInChI=1S/C12H18ClN3O2/c1-2-3-4-16-12(18)11(13)10(7-14-16)15-8-5-9(17)6-8/h7-9,15,17H,2-6H2,1H3
InChIKeyFLGMJTSERBAPBG-UHFFFAOYSA-N
XLogP1.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(3-hydroxycyclobutyl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114439735
2-butyl-4-chloro-5-[(2-methylcyclopropyl)amino]pyridazin-3-one
CID 114437041
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
CID 114439041
2-butyl-4-chloro-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438991
4-chloro-5-[(3-hydroxycyclobutyl)amino]-2-prop-2-enylpyridazin-3-one
CID 114439723
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114437934
2-butyl-4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106258403
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
CID 114433679
2-butyl-4-chloro-5-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440133

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one (CID 114439715) is 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one is CCCCn1ncc(NC2CC(O)C2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one?
The InChIKey is FLGMJTSERBAPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-2-3-4-16-12(18)11(13)10(7-14-16)15-8-5-9(17)6-8/h7-9,15,17H,2-6H2,1H3.
What are the key properties of 2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one has a molecular weight of 271.75 g/mol, XLogP of 1.63, 5 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-[(3-hydroxycyclobutyl)amino]pyridazin-3-one is sourced from PubChem (CID 114439715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).