6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one

C14H17N3O — CID 126853156

IUPAC6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(Cc2ccccn2)n1
InChIInChI=1S/C14H17N3O/c1-14(2,3)12-7-8-13(18)17(16-12)10-11-6-4-5-9-15-11/h4-9H,10H2,1-3H3
InChIKeyZAEHDDUFYVOCBW-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.98
Rot. Bonds2

About 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one

6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one (PubChem CID 126853156) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one
PubChem CID126853156
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(Cc2ccccn2)n1
InChIInChI=1S/C14H17N3O/c1-14(2,3)12-7-8-13(18)17(16-12)10-11-6-4-5-9-15-11/h4-9H,10H2,1-3H3
InChIKeyZAEHDDUFYVOCBW-UHFFFAOYSA-N
XLogP1.98
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 124926524
dibromonickel;2-[(3,5-ditert-butylpyrazol-1-yl)methyl]pyridine
CID 139241709
N-[3-tert-butyl-1-(pyridin-2-ylmethyl)pyrazol-5-yl]benzenesulfonamide
CID 166435921
6-(4-ethylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 40531976
2-[2-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]phenyl]-2-methylpropanenitrile
CID 154739922
6-tert-butyl-2-[2-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914136
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
6-tert-butyl-2-[2-[4-[(1-methylimidazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914182
2-(3,5-ditert-butylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102218014
4-cyclopropyl-5-methyl-2-(pyridin-2-ylmethyl)-1,2,4-triazol-3-one
CID 126953671
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927851
6-tert-butyl-2-[2-[4-(4-methyl-3-oxopyrazin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126914050

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one (CID 126853156) is 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one is CC(C)(C)c1ccc(=O)n(Cc2ccccn2)n1.
What is the InChIKey of 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one?
The InChIKey is ZAEHDDUFYVOCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)12-7-8-13(18)17(16-12)10-11-6-4-5-9-15-11/h4-9H,10H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one?
6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one has a molecular weight of 243.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(pyridin-2-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 126853156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).