2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one

C11H18ClN3O — CID 114431308

IUPAC2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCCCn1ncc(NC(C)C)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3O/c1-4-5-6-15-11(16)10(12)9(7-13-15)14-8(2)3/h7-8,14H,4-6H2,1-3H3
InChIKeyLCKHMDMZNFAJJC-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.52
Rot. Bonds5

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

2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one (PubChem CID 114431308) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
PubChem CID114431308
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
SMILESCCCCn1ncc(NC(C)C)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3O/c1-4-5-6-15-11(16)10(12)9(7-13-15)14-8(2)3/h7-8,14H,4-6H2,1-3H3
InChIKeyLCKHMDMZNFAJJC-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 114431361
2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436331
2-butyl-4-chloro-5-(4-methylsulfanylbutan-2-ylamino)pyridazin-3-one
CID 114442233
5-(1-aminohexan-2-ylamino)-2-butyl-4-chloropyridazin-3-one
CID 114446557
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one
CID 114446870
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434723
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one (CID 114431308) is 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one is CCCCn1ncc(NC(C)C)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one?
The InChIKey is LCKHMDMZNFAJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-5-6-15-11(16)10(12)9(7-13-15)14-8(2)3/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one?
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one has a molecular weight of 243.74 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114431308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).