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

C8H10F3N3O — CID 170173417

IUPAC2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1cnn(N)c(=O)c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4(2)5-3-13-14(12)7(15)6(5)8(9,10)11/h3-4H,12H2,1-2H3
InChIKeyQIKOFDGZUOMBFA-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.10
Rot. Bonds1

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

2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 170173417) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one
PubChem CID170173417
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one
SMILESCC(C)c1cnn(N)c(=O)c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4(2)5-3-13-14(12)7(15)6(5)8(9,10)11/h3-4H,12H2,1-2H3
InChIKeyQIKOFDGZUOMBFA-UHFFFAOYSA-N
XLogP1.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one (CID 170173417) is 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one is CC(C)c1cnn(N)c(=O)c1C(F)(F)F.
What is the InChIKey of 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is QIKOFDGZUOMBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4(2)5-3-13-14(12)7(15)6(5)8(9,10)11/h3-4H,12H2,1-2H3.
What are the key properties of 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one?
2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 221.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propan-2-yl-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 170173417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).