6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C12H14N6OS — CID 138620470

IUPAC6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(N)cc1Nc1ncccc1SC
InChIInChI=1S/C12H14N6OS/c1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11/h3-6H,1-2H3,(H,14,19)(H3,13,15,16,17)/i1D3
InChIKeyKMASQCNEAHOSPM-FIBGUPNXSA-N
MW293.37 g/mol
LogP1.28
Rot. Bonds5

About 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 138620470) has the molecular formula C12H14N6OS and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID138620470
Molecular FormulaC12H14N6OS
Molecular Weight293.37 g/mol
Exact Mass293.11
IUPAC Name6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(N)cc1Nc1ncccc1SC
InChIInChI=1S/C12H14N6OS/c1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11/h3-6H,1-2H3,(H,14,19)(H3,13,15,16,17)/i1D3
InChIKeyKMASQCNEAHOSPM-FIBGUPNXSA-N
XLogP1.28
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[(3-cyclopropylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166130739
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 157463237
methyl N-[5-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-6-(trideuteriomethylcarbamoyl)pyridazin-3-yl]carbamate
CID 166130736
6-[(6-methylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150460664
6-chloro-4-[(5-chloro-3-methylsulfanyl-2-pyridinyl)amino]-N-methylpyridazine-3-carboxamide
CID 174178154
6-[(5-cyclopropylpyrazin-2-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 150986956
6-amino-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-(4-fluorobutanoylamino)-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
CID 167711350
6-[[5-(methoxymethyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 151920579
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158922092
6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 168873777
6-chloro-4-[[3-(N,S-dimethylsulfonimidoyl)-2-pyridinyl]amino]-N-methylpyridazine-3-carboxamide
CID 176774472
6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 159860536

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 138620470) is 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(N)cc1Nc1ncccc1SC.
What is the InChIKey of 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is KMASQCNEAHOSPM-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11/h3-6H,1-2H3,(H,14,19)(H3,13,15,16,17)/i1D3.
What are the key properties of 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 138620470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).