N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine

C10H12F3N3O — CID 82727848

IUPACN-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC1OCCC1Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3O/c1-6-7(4-5-17-6)14-9-3-2-8(15-16-9)10(11,12)13/h2-3,6-7H,4-5H2,1H3,(H,14,16)
InChIKeyKJUHLIAZBXKZQD-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.08
Rot. Bonds2

About N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine

N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 82727848) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID82727848
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC1OCCC1Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3O/c1-6-7(4-5-17-6)14-9-3-2-8(15-16-9)10(11,12)13/h2-3,6-7H,4-5H2,1H3,(H,14,16)
InChIKeyKJUHLIAZBXKZQD-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine (CID 82727848) is N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine is CC1OCCC1Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is KJUHLIAZBXKZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-7(4-5-17-6)14-9-3-2-8(15-16-9)10(11,12)13/h2-3,6-7H,4-5H2,1H3,(H,14,16).
What are the key properties of N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 247.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyloxolan-3-yl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 82727848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).