4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

C10H12F3N3O2 — CID 153358120

IUPAC4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCC2CCCO2)c1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)8-7(5-15-16-9(8)17)14-4-6-2-1-3-18-6/h5-6H,1-4H2,(H2,14,16,17)
InChIKeyMJYHHOMQOBFUQI-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.38
Rot. Bonds3

About 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 153358120) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID153358120
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCC2CCCO2)c1C(F)(F)F
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)8-7(5-15-16-9(8)17)14-4-6-2-1-3-18-6/h5-6H,1-4H2,(H2,14,16,17)
InChIKeyMJYHHOMQOBFUQI-UHFFFAOYSA-N
XLogP1.38
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 153358120) is 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is O=c1[nH]ncc(NCC2CCCO2)c1C(F)(F)F.
What is the InChIKey of 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is MJYHHOMQOBFUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)8-7(5-15-16-9(8)17)14-4-6-2-1-3-18-6/h5-6H,1-4H2,(H2,14,16,17).
What are the key properties of 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 263.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 153358120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).