methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate

C10H13N3O2S — CID 103704261

IUPACmethyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCSC2)nn1
InChIInChI=1S/C10H13N3O2S/c1-15-10(14)8-2-3-9(13-12-8)11-7-4-5-16-6-7/h2-3,7H,4-6H2,1H3,(H,11,13)
InChIKeyDMOMPFJJTRNRRC-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.18
Rot. Bonds3

About methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate

methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate (PubChem CID 103704261) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
PubChem CID103704261
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Namemethyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCSC2)nn1
InChIInChI=1S/C10H13N3O2S/c1-15-10(14)8-2-3-9(13-12-8)11-7-4-5-16-6-7/h2-3,7H,4-6H2,1H3,(H,11,13)
InChIKeyDMOMPFJJTRNRRC-UHFFFAOYSA-N
XLogP1.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide
CID 103063431
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
methyl 6-[(3,3-dimethylcyclopentyl)amino]pyridazine-3-carboxylate
CID 115881025
methyl 6-[(2-cyclopropyloxan-4-yl)amino]pyridazine-3-carboxylate
CID 133473769
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
CID 79363165
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
methyl 2-methyl-3-(thiolan-3-ylamino)benzoate
CID 43714402
N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103880258
methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
CID 95324954
methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
CID 62064686

Frequently Asked Questions

What is the IUPAC name of methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate (CID 103704261) is methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(NC2CCSC2)nn1.
What is the InChIKey of methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate?
The InChIKey is DMOMPFJJTRNRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-15-10(14)8-2-3-9(13-12-8)11-7-4-5-16-6-7/h2-3,7H,4-6H2,1H3,(H,11,13).
What are the key properties of methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate?
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 103704261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).