4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

C8H10F3N3O — CID 175845876

IUPAC4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC(C)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4(2)13-5-3-12-14-7(15)6(5)8(9,10)11/h3-4H,1-2H3,(H2,13,14,15)
InChIKeyTZMDHLZCDVQJRI-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.61
Rot. Bonds2

About 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 175845876) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID175845876
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC(C)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-4(2)13-5-3-12-14-7(15)6(5)8(9,10)11/h3-4H,1-2H3,(H2,13,14,15)
InChIKeyTZMDHLZCDVQJRI-UHFFFAOYSA-N
XLogP1.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 175845876) is 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is CC(C)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is TZMDHLZCDVQJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4(2)13-5-3-12-14-7(15)6(5)8(9,10)11/h3-4H,1-2H3,(H2,13,14,15).
What are the key properties of 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 221.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 175845876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).