6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one

C12H18N2O — CID 126857323

IUPAC6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CC2)n1
InChIInChI=1S/C12H18N2O/c1-12(2,3)10-6-7-11(15)14(13-10)8-9-4-5-9/h6-7,9H,4-5,8H2,1-3H3
InChIKeyHTVVYKRKWHBQFL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.95
Rot. Bonds2

About 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one

6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 126857323) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID126857323
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CC2)n1
InChIInChI=1S/C12H18N2O/c1-12(2,3)10-6-7-11(15)14(13-10)8-9-4-5-9/h6-7,9H,4-5,8H2,1-3H3
InChIKeyHTVVYKRKWHBQFL-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-2-[[1-(2-hydroxycyclohexyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928030
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[(5-oxopyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126862544
6-tert-butyl-2-[[1-(cyclobutanecarbonyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927631
6-tert-butyl-2-[[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862625
6-tert-butyl-2-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862353
6-[4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]piperidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126862381
6-tert-butyl-2-[[1-(5-oxopyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862227
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
6-tert-butyl-2-[[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862284
3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-cyclopentylazetidine-1-carboxamide
CID 126927651
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one (CID 126857323) is 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CC2)n1.
What is the InChIKey of 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is HTVVYKRKWHBQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)10-6-7-11(15)14(13-10)8-9-4-5-9/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one?
6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 206.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 126857323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).