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N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine

C13H14F3N5O — CID 154794373

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H14F3N5O/c1-21-6-5-17-12(21)11-8(4-7-22-11)18-10-3-2-9(19-20-10)13(14,15)16/h2-3,5-6,8,11H,4,7H2,1H3,(H,18,20)/t8-,11-/m0/s1
InChIKeyNOZBWSBLSHRVLR-KWQFWETISA-N
MW313.28 g/mol
LogP2.17
Rot. Bonds3

About N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine

N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 154794373) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID154794373
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC NameN-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESCn1ccnc1[C@H]1OCC[C@@H]1Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C13H14F3N5O/c1-21-6-5-17-12(21)11-8(4-7-22-11)18-10-3-2-9(19-20-10)13(14,15)16/h2-3,5-6,8,11H,4,7H2,1H3,(H,18,20)/t8-,11-/m0/s1
InChIKeyNOZBWSBLSHRVLR-KWQFWETISA-N
XLogP2.17
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine (CID 154794373) is N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine is Cn1ccnc1[C@H]1OCC[C@@H]1Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is NOZBWSBLSHRVLR-KWQFWETISA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-21-6-5-17-12(21)11-8(4-7-22-11)18-10-3-2-9(19-20-10)13(14,15)16/h2-3,5-6,8,11H,4,7H2,1H3,(H,18,20)/t8-,11-/m0/s1.
What are the key properties of N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 313.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 154794373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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