N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide

C11H16N4OS — CID 103063431

IUPACN,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2CCSC2)nn1
InChIInChI=1S/C11H16N4OS/c1-15(2)11(16)9-3-4-10(14-13-9)12-8-5-6-17-7-8/h3-4,8H,5-7H2,1-2H3,(H,12,14)
InChIKeyBAUFPDBZSOGWMM-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.10
Rot. Bonds3

About N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide

N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide (PubChem CID 103063431) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide
PubChem CID103063431
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(NC2CCSC2)nn1
InChIInChI=1S/C11H16N4OS/c1-15(2)11(16)9-3-4-10(14-13-9)12-8-5-6-17-7-8/h3-4,8H,5-7H2,1-2H3,(H,12,14)
InChIKeyBAUFPDBZSOGWMM-UHFFFAOYSA-N
XLogP1.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
N-(thiolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 103880258
6-hydrazinyl-N,N-dimethylpyridazine-3-carboxamide
CID 62236767
6-(cyclopentylamino)-N,N-diethylpyridazine-3-carboxamide
CID 109112142
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
N,N-dimethyl-4-(thian-4-ylamino)benzamide
CID 43682033
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879
6-(cyclohexylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 109112883
N,N-dimethyl-6-[(2-methylcyclopentyl)methylamino]pyridazine-3-carboxamide
CID 107419298
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
5-chloro-N-(thiolan-3-yl)pyridin-2-amine
CID 103705049
5-methylsulfanyl-N-(thiolan-3-yl)pyridin-2-amine
CID 115921464

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide (CID 103063431) is N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide is CN(C)C(=O)c1ccc(NC2CCSC2)nn1.
What is the InChIKey of N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide?
The InChIKey is BAUFPDBZSOGWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-15(2)11(16)9-3-4-10(14-13-9)12-8-5-6-17-7-8/h3-4,8H,5-7H2,1-2H3,(H,12,14).
What are the key properties of N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide?
N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(thiolan-3-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 103063431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).