N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C10H17N3O2S — CID 115665075

IUPACN-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCSC(C)(C)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H17N3O2S/c1-10(2,16-3)6-11-9(15)7-4-5-8(14)13-12-7/h4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyFZSOPNUYJVKVFU-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.51
Rot. Bonds4

About N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 115665075) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID115665075
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCSC(C)(C)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C10H17N3O2S/c1-10(2,16-3)6-11-9(15)7-4-5-8(14)13-12-7/h4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyFZSOPNUYJVKVFU-UHFFFAOYSA-N
XLogP0.51
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]propanoic acid
CID 61261887
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115636652
N-(1-hydroxy-2-methylbutan-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 64555831
N-(2-cyclopentylethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60734317
N-(2-cyanopropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 62652057
N-[(1-methylcyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103754236
N-(3,3-difluoro-2-hydroxypropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103770322
N-(5-hydroxy-4-methylpentyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103861422
N-[(4-hydroxycyclohexyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 106121339
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60979295
6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397681
N-ethyl-N-(2-hydroxy-2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 79387998

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 115665075) is N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CSC(C)(C)CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is FZSOPNUYJVKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-10(2,16-3)6-11-9(15)7-4-5-8(14)13-12-7/h4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 115665075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).