2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one

C9H9N3OS — CID 99844103

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
SMILESCc1ncc(Cn2ncccc2=O)s1
InChIInChI=1S/C9H9N3OS/c1-7-10-5-8(14-7)6-12-9(13)3-2-4-11-12/h2-5H,6H2,1H3
InChIKeyZADSRIKRLIOIJU-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.06
Rot. Bonds2

About 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one

2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one (PubChem CID 99844103) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
PubChem CID99844103
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one
SMILESCc1ncc(Cn2ncccc2=O)s1
InChIInChI=1S/C9H9N3OS/c1-7-10-5-8(14-7)6-12-9(13)3-2-4-11-12/h2-5H,6H2,1H3
InChIKeyZADSRIKRLIOIJU-UHFFFAOYSA-N
XLogP1.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one (CID 99844103) is 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one is Cc1ncc(Cn2ncccc2=O)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?
The InChIKey is ZADSRIKRLIOIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-7-10-5-8(14-7)6-12-9(13)3-2-4-11-12/h2-5H,6H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one?
2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one has a molecular weight of 207.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 99844103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).