N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide

C10H15N3O2S — CID 103852414

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccnnc1
InChIInChI=1S/C10H15N3O2S/c1-7(9(6-14)16-2)13-10(15)8-3-4-11-12-5-8/h3-5,7,9,14H,6H2,1-2H3,(H,13,15)
InChIKeyAQSJAOLEABZDGT-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.32
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide (PubChem CID 103852414) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide
PubChem CID103852414
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1ccnnc1
InChIInChI=1S/C10H15N3O2S/c1-7(9(6-14)16-2)13-10(15)8-3-4-11-12-5-8/h3-5,7,9,14H,6H2,1-2H3,(H,13,15)
InChIKeyAQSJAOLEABZDGT-UHFFFAOYSA-N
XLogP0.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide (CID 103852414) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide is CSC(CO)C(C)NC(=O)c1ccnnc1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide?
The InChIKey is AQSJAOLEABZDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(9(6-14)16-2)13-10(15)8-3-4-11-12-5-8/h3-5,7,9,14H,6H2,1-2H3,(H,13,15).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 103852414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).