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

C10H14ClN3O2 — CID 103989620

IUPAC5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one
SMILESCOC1(CNc2cn[nH]c(=O)c2Cl)CCC1
InChIInChI=1S/C10H14ClN3O2/c1-16-10(3-2-4-10)6-12-7-5-13-14-9(15)8(7)11/h5H,2-4,6H2,1H3,(H2,12,14,15)
InChIKeyOJAZATXJNFHCPK-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.40
Rot. Bonds4

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

5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one (PubChem CID 103989620) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one
PubChem CID103989620
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one
SMILESCOC1(CNc2cn[nH]c(=O)c2Cl)CCC1
InChIInChI=1S/C10H14ClN3O2/c1-16-10(3-2-4-10)6-12-7-5-13-14-9(15)8(7)11/h5H,2-4,6H2,1H3,(H2,12,14,15)
InChIKeyOJAZATXJNFHCPK-UHFFFAOYSA-N
XLogP1.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[[1-(dimethylamino)cyclobutyl]methylamino]-1H-pyridazin-6-one
CID 105419115
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
5-chloro-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyridazin-6-one
CID 80746383
5-chloro-4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 80746939
5-chloro-4-(2,2-difluoroethylamino)-1H-pyridazin-6-one
CID 79098505
5-chloro-4-(2,3,3-trimethylbutylamino)-1H-pyridazin-6-one
CID 78966968
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
4-chloro-5-[(1-methoxycyclobutyl)methylamino]-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 133460033
5-chloro-4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-1H-pyridazin-6-one
CID 78955295
4-(2-tert-butylsulfanylethylamino)-5-chloro-1H-pyridazin-6-one
CID 133275925

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one (CID 103989620) is 5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one is COC1(CNc2cn[nH]c(=O)c2Cl)CCC1.
What is the InChIKey of 5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one?
The InChIKey is OJAZATXJNFHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-16-10(3-2-4-10)6-12-7-5-13-14-9(15)8(7)11/h5H,2-4,6H2,1H3,(H2,12,14,15).
What are the key properties of 5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.40, 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-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 103989620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).