2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol

C13H15F3N4O — CID 107078485

IUPAC2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol
SMILESOC(c1ccn(Cc2nnc3n2CCCC3)c1)C(F)(F)F
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)12(21)9-4-6-19(7-9)8-11-18-17-10-3-1-2-5-20(10)11/h4,6-7,12,21H,1-3,5,8H2
InChIKeyWHDZODVHTSANGQ-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.06
Rot. Bonds3

About 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol

2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol (PubChem CID 107078485) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol
PubChem CID107078485
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol
SMILESOC(c1ccn(Cc2nnc3n2CCCC3)c1)C(F)(F)F
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)12(21)9-4-6-19(7-9)8-11-18-17-10-3-1-2-5-20(10)11/h4,6-7,12,21H,1-3,5,8H2
InChIKeyWHDZODVHTSANGQ-UHFFFAOYSA-N
XLogP2.06
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)triazol-4-yl]propan-1-ol
CID 107078682
(2R)-1-pyrazol-1-yl-3-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 51963979
3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 657668
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
CID 91773883
1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylsulfanyl)phenyl]ethanone
CID 107078752
3-[(3-methylpyrazol-1-yl)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 71833016
2-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 107078814
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 107077006
3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113361809
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111020511
4-[[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazol-4-yl]amino]methyl]benzoic acid
CID 122033581
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 154882662

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol (CID 107078485) is 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol is OC(c1ccn(Cc2nnc3n2CCCC3)c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol?
The InChIKey is WHDZODVHTSANGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c14-13(15,16)12(21)9-4-6-19(7-9)8-11-18-17-10-3-1-2-5-20(10)11/h4,6-7,12,21H,1-3,5,8H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol?
2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol has a molecular weight of 300.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrol-3-yl]ethanol is sourced from PubChem (CID 107078485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).