4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one

C9H11F3N2O — CID 146634955

IUPAC4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1c(C(F)(F)F)cnn(C(C)C)c1=O
InChIInChI=1S/C9H11F3N2O/c1-5(2)14-8(15)6(3)7(4-13-14)9(10,11)12/h4-5H,1-3H3
InChIKeyZZNFBCFBJJBIDL-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.15
Rot. Bonds1

About 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one

4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 146634955) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID146634955
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
SMILESCc1c(C(F)(F)F)cnn(C(C)C)c1=O
InChIInChI=1S/C9H11F3N2O/c1-5(2)14-8(15)6(3)7(4-13-14)9(10,11)12/h4-5H,1-3H3
InChIKeyZZNFBCFBJJBIDL-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one (CID 146634955) is 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one is Cc1c(C(F)(F)F)cnn(C(C)C)c1=O.
What is the InChIKey of 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is ZZNFBCFBJJBIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-5(2)14-8(15)6(3)7(4-13-14)9(10,11)12/h4-5H,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one?
4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 220.19 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 146634955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).