1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide

C9H8N4O2S — CID 8762618

IUPAC1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nccs2)ccc1=O
InChIInChI=1S/C9H8N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-5H,1H3,(H,10,11,15)
InChIKeySCYYZDDYWZMYMT-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.49
Rot. Bonds2

About 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 8762618) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
PubChem CID8762618
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2nccs2)ccc1=O
InChIInChI=1S/C9H8N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-5H,1H3,(H,10,11,15)
InChIKeySCYYZDDYWZMYMT-UHFFFAOYSA-N
XLogP0.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide (CID 8762618) is 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2nccs2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide?
The InChIKey is SCYYZDDYWZMYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c1-13-7(14)3-2-6(12-13)8(15)11-9-10-4-5-16-9/h2-5H,1H3,(H,10,11,15).
What are the key properties of 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 236.26 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 8762618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).