N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

C10H15N3O2S — CID 103709680

IUPACN-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCSCC(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O2S/c1-3-16-6-7(2)11-10(15)8-4-5-9(14)13-12-8/h4-5,7H,3,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyQATZAWKAHYBKTO-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.64
Rot. Bonds5

About N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 103709680) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID103709680
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCSCC(C)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H15N3O2S/c1-3-16-6-7(2)11-10(15)8-4-5-9(14)13-12-8/h4-5,7H,3,6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyQATZAWKAHYBKTO-UHFFFAOYSA-N
XLogP0.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 103709680) is N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is CCSCC(C)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is QATZAWKAHYBKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-16-6-7(2)11-10(15)8-4-5-9(14)13-12-8/h4-5,7H,3,6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylsulfanylpropan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103709680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).