6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide

C12H18N4O2S — CID 133357901

IUPAC6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide
SMILESCCSC1CCC1(O)CNc1ccc(C(N)=O)nn1
InChIInChI=1S/C12H18N4O2S/c1-2-19-9-5-6-12(9,18)7-14-10-4-3-8(11(13)17)15-16-10/h3-4,9,18H,2,5-7H2,1H3,(H2,13,17)(H,14,16)
InChIKeyQBXPUXJJQYCNGR-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.63
Rot. Bonds6

About 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide

6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide (PubChem CID 133357901) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide
PubChem CID133357901
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide
SMILESCCSC1CCC1(O)CNc1ccc(C(N)=O)nn1
InChIInChI=1S/C12H18N4O2S/c1-2-19-9-5-6-12(9,18)7-14-10-4-3-8(11(13)17)15-16-10/h3-4,9,18H,2,5-7H2,1H3,(H2,13,17)(H,14,16)
InChIKeyQBXPUXJJQYCNGR-UHFFFAOYSA-N
XLogP0.63
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1-ethylcyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103741792
6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103724970
6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 113256808
6-[(1-aminocyclobutyl)methylamino]pyridazine-3-carboxamide
CID 103354254
6-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridazine-3-carboxamide
CID 79098492
6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133357915
1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133357961
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridazine-3-carboxamide
CID 113295252
3-ethyl-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide
CID 97336639
3-ethyl-N-[[(1S,2S)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]pyridine-4-carboxamide
CID 97336637
1-[[(6-carbamoylpyridazin-3-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443595
2-ethylsulfanyl-1-[(2-methylsulfonylanilino)methyl]cyclobutan-1-ol
CID 133358014

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide (CID 133357901) is 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide is CCSC1CCC1(O)CNc1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is QBXPUXJJQYCNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-2-19-9-5-6-12(9,18)7-14-10-4-3-8(11(13)17)15-16-10/h3-4,9,18H,2,5-7H2,1H3,(H2,13,17)(H,14,16).
What are the key properties of 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide?
6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylsulfanyl-1-hydroxycyclobutyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133357901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).