[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate

C10H11F3N4O2 — CID 155168175

IUPAC[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate
SMILESNC(=O)O[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-2-8(16-15-7)17-4-3-6(5-17)19-9(14)18/h1-2,6H,3-5H2,(H2,14,18)/t6-/m1/s1
InChIKeyPFXLLQAWMVXQGD-ZCFIWIBFSA-N
MW276.22 g/mol
LogP1.17
Rot. Bonds2

About [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate

[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate (PubChem CID 155168175) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate
PubChem CID155168175
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate
SMILESNC(=O)O[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-2-8(16-15-7)17-4-3-6(5-17)19-9(14)18/h1-2,6H,3-5H2,(H2,14,18)/t6-/m1/s1
InChIKeyPFXLLQAWMVXQGD-ZCFIWIBFSA-N
XLogP1.17
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate?
The IUPAC name of [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate (CID 155168175) is [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate.
What is the SMILES notation for [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate?
The canonical SMILES for [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate is NC(=O)O[C@@H]1CCN(c2ccc(C(F)(F)F)nn2)C1.
What is the InChIKey of [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate?
The InChIKey is PFXLLQAWMVXQGD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)7-1-2-8(16-15-7)17-4-3-6(5-17)19-9(14)18/h1-2,6H,3-5H2,(H2,14,18)/t6-/m1/s1.
What are the key properties of [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate?
[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate has a molecular weight of 276.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate is sourced from PubChem (CID 155168175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).