(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

C10H12F3N3O — CID 129354000

IUPAC(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCc1ccc(N2CC[C@@](O)(C(F)(F)F)C2)nn1
InChIInChI=1S/C10H12F3N3O/c1-7-2-3-8(15-14-7)16-5-4-9(17,6-16)10(11,12)13/h2-3,17H,4-6H2,1H3/t9-/m0/s1
InChIKeyXOXITQULBNYZKU-VIFPVBQESA-N
MW247.22 g/mol
LogP1.29
Rot. Bonds1

About (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 129354000) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID129354000
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCc1ccc(N2CC[C@@](O)(C(F)(F)F)C2)nn1
InChIInChI=1S/C10H12F3N3O/c1-7-2-3-8(15-14-7)16-5-4-9(17,6-16)10(11,12)13/h2-3,17H,4-6H2,1H3/t9-/m0/s1
InChIKeyXOXITQULBNYZKU-VIFPVBQESA-N
XLogP1.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 129354000) is (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is Cc1ccc(N2CC[C@@](O)(C(F)(F)F)C2)nn1.
What is the InChIKey of (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is XOXITQULBNYZKU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-7-2-3-8(15-14-7)16-5-4-9(17,6-16)10(11,12)13/h2-3,17H,4-6H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 247.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 129354000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).