N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine

C12H16F3N3O — CID 103880351

IUPACN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC1(CNc2ccc(C(F)(F)F)nn2)CCOCC1
InChIInChI=1S/C12H16F3N3O/c1-11(4-6-19-7-5-11)8-16-10-3-2-9(17-18-10)12(13,14)15/h2-3H,4-8H2,1H3,(H,16,18)
InChIKeyQAVOUDOEDUEIMI-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.72
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103880351) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103880351
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC1(CNc2ccc(C(F)(F)F)nn2)CCOCC1
InChIInChI=1S/C12H16F3N3O/c1-11(4-6-19-7-5-11)8-16-10-3-2-9(17-18-10)12(13,14)15/h2-3H,4-8H2,1H3,(H,16,18)
InChIKeyQAVOUDOEDUEIMI-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 103880351) is N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is CC1(CNc2ccc(C(F)(F)F)nn2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is QAVOUDOEDUEIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-11(4-6-19-7-5-11)8-16-10-3-2-9(17-18-10)12(13,14)15/h2-3H,4-8H2,1H3,(H,16,18).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 275.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103880351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).