methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate

C11H14ClN3O3 — CID 114437032

IUPACmethyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate
SMILESCOC(=O)Cn1ncc(NC2CCC2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN3O3/c1-18-9(16)6-15-11(17)10(12)8(5-13-15)14-7-3-2-4-7/h5,7,14H,2-4,6H2,1H3
InChIKeySRYGMBMFVPKNIC-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate

methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate (PubChem CID 114437032) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate
PubChem CID114437032
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Namemethyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate
SMILESCOC(=O)Cn1ncc(NC2CCC2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN3O3/c1-18-9(16)6-15-11(17)10(12)8(5-13-15)14-7-3-2-4-7/h5,7,14H,2-4,6H2,1H3
InChIKeySRYGMBMFVPKNIC-UHFFFAOYSA-N
XLogP1.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[5-chloro-4-[(2-methylcyclopentyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114437732
methyl 2-[5-chloro-4-[(1-methylpyrrolidin-3-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 114435307
methyl 2-[5-chloro-4-[(2-methylpiperidin-4-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 106995982
methyl 2-[5-chloro-6-oxo-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-1-yl]acetate
CID 106191964
methyl 2-[5-chloro-4-[(2-methyloxolan-3-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 114440922
methyl 2-[5-chloro-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-6-oxopyridazin-1-yl]acetate
CID 107851333
methyl 2-[5-chloro-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114630143
4-chloro-5-(cyclobutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114437020
methyl 2-[5-chloro-4-[(3-methylcyclopentyl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 107413789
methyl 2-[5-chloro-4-(3-ethylpentan-2-ylamino)-6-oxopyridazin-1-yl]acetate
CID 114438187
methyl 2-[5-bromo-4-[(1-methylpiperidin-3-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 114434910
methyl 2-[4-(but-2-ynylamino)-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114441921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate?
The IUPAC name of methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate (CID 114437032) is methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate is COC(=O)Cn1ncc(NC2CCC2)c(Cl)c1=O.
What is the InChIKey of methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate?
The InChIKey is SRYGMBMFVPKNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-18-9(16)6-15-11(17)10(12)8(5-13-15)14-7-3-2-4-7/h5,7,14H,2-4,6H2,1H3.
What are the key properties of methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate?
methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate has a molecular weight of 271.70 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-4-(cyclobutylamino)-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 114437032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).