1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide

C11H15N3O2S — CID 71971589

IUPAC1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCCS2)ccc1=O
InChIInChI=1S/C11H15N3O2S/c1-14-10(15)5-4-9(13-14)11(16)12-7-8-3-2-6-17-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)
InChIKeyQWSZZCPNQJDHKX-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.41
Rot. Bonds3

About 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 71971589) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID71971589
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCCS2)ccc1=O
InChIInChI=1S/C11H15N3O2S/c1-14-10(15)5-4-9(13-14)11(16)12-7-8-3-2-6-17-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16)
InChIKeyQWSZZCPNQJDHKX-UHFFFAOYSA-N
XLogP0.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide (CID 71971589) is 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide is Cn1nc(C(=O)NCC2CCCS2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is QWSZZCPNQJDHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-14-10(15)5-4-9(13-14)11(16)12-7-8-3-2-6-17-8/h4-5,8H,2-3,6-7H2,1H3,(H,12,16).
What are the key properties of 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(thiolan-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 71971589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).