4-(2-methylbutan-2-yl)-1H-pyridazin-6-one

C9H14N2O — CID 90688316

IUPAC4-(2-methylbutan-2-yl)-1H-pyridazin-6-one
SMILESCCC(C)(C)c1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O/c1-4-9(2,3)7-5-8(12)11-10-6-7/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyVDPNHJVVCQIHLI-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds2

About 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one

4-(2-methylbutan-2-yl)-1H-pyridazin-6-one (PubChem CID 90688316) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1H-pyridazin-6-one
PubChem CID90688316
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-(2-methylbutan-2-yl)-1H-pyridazin-6-one
SMILESCCC(C)(C)c1cn[nH]c(=O)c1
InChIInChI=1S/C9H14N2O/c1-4-9(2,3)7-5-8(12)11-10-6-7/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeyVDPNHJVVCQIHLI-UHFFFAOYSA-N
XLogP1.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethylpyridazin-3(2H)-one
CID 327042
6-Tert-butyl-5-methyl-2,3-dihydropyridazin-3-one
CID 131701591
5-(1-(Trifluoromethyl)cyclopropyl)pyridazin-3(2H)-one
CID 164871645
5-Isopropylpyridazin-3(2H)-one
CID 19915065
5-Propyl-2,3-dihydropyridazin-3-one
CID 20061671
5-(Tert-butyl)pyridazin-3(2H)-one
CID 55269831
4-cyclohexyl-1H-pyridazin-6-one
CID 55274591
4-pentyl-1H-pyridazin-6-one
CID 69021333
4-(cyclopropylmethyl)-1H-pyridazin-6-one
CID 90901052
5-Cyclopropylpyridazin-3(2H)-one
CID 106516162
4-undecan-5-yl-1H-pyridazin-6-one
CID 134309046
4-(2-methylpentan-2-yl)-1H-pyridazin-6-one
CID 134344004

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one (CID 90688316) is 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one is CCC(C)(C)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one?
The InChIKey is VDPNHJVVCQIHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-9(2,3)7-5-8(12)11-10-6-7/h5-6H,4H2,1-3H3,(H,11,12).
What are the key properties of 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one?
4-(2-methylbutan-2-yl)-1H-pyridazin-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 90688316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).