N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide

C10H15N3O2S — CID 103713495

IUPACN-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O2S/c1-10(2,16-3)6-11-9(15)7-4-5-8(14)13-12-7/h4-5H,6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyJWHDANVJMDDZEL-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.64
Rot. Bonds4

About N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide

N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103713495) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103713495
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCSC(C)(C)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O2S/c1-10(2,16-3)6-11-9(15)7-4-5-8(14)13-12-7/h4-5H,6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyJWHDANVJMDDZEL-UHFFFAOYSA-N
XLogP0.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103713495) is N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide is CSC(C)(C)CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is JWHDANVJMDDZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-10(2,16-3)6-11-9(15)7-4-5-8(14)13-12-7/h4-5H,6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(2-methyl-2-methylsulfanylpropyl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.64, 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-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103713495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).