5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one

C11H17ClN4O — CID 105419115

IUPAC5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one
SMILESCN(C)C1(CNc2cn[nH]c(=O)c2Cl)CCC1
InChIInChI=1S/C11H17ClN4O/c1-16(2)11(4-3-5-11)7-13-8-6-14-15-10(17)9(8)12/h6H,3-5,7H2,1-2H3,(H2,13,15,17)
InChIKeyRUXAFPUJNBBVLT-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.32
Rot. Bonds4

About 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one (PubChem CID 105419115) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one
PubChem CID105419115
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one
SMILESCN(C)C1(CNc2cn[nH]c(=O)c2Cl)CCC1
InChIInChI=1S/C11H17ClN4O/c1-16(2)11(4-3-5-11)7-13-8-6-14-15-10(17)9(8)12/h6H,3-5,7H2,1-2H3,(H2,13,15,17)
InChIKeyRUXAFPUJNBBVLT-UHFFFAOYSA-N
XLogP1.32
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one
CID 103989620
5-chloro-4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyridazin-6-one
CID 114117075
5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one
CID 103742941
5-chloro-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyridazin-6-one
CID 79479518
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114175492
5-chloro-4-(prop-2-ynylamino)-1H-pyridazin-6-one
CID 78913319
5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
CID 80746383
5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
CID 133272314
4-(but-3-ynylamino)-5-chloro-1H-pyridazin-6-one
CID 78959225
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
CID 78966968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one (CID 105419115) is 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one is CN(C)C1(CNc2cn[nH]c(=O)c2Cl)CCC1.
What is the InChIKey of 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one?
The InChIKey is RUXAFPUJNBBVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16(2)11(4-3-5-11)7-13-8-6-14-15-10(17)9(8)12/h6H,3-5,7H2,1-2H3,(H2,13,15,17).
What are the key properties of 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one has a molecular weight of 256.74 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 105419115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).