1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol

C13H14F3N3O — CID 66787839

IUPAC1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol
SMILESCC(O)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-7(20)9-4-5-19-10(6-8-2-3-8)17-18-12(19)11(9)13(14,15)16/h4-5,7-8,20H,2-3,6H2,1H3
InChIKeyVVEZWBQAHRHUMR-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.75
Rot. Bonds3

About 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol

1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol (PubChem CID 66787839) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol.

Molecular Properties

Compound Name1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol
PubChem CID66787839
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol
SMILESCC(O)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F
InChIInChI=1S/C13H14F3N3O/c1-7(20)9-4-5-19-10(6-8-2-3-8)17-18-12(19)11(9)13(14,15)16/h4-5,7-8,20H,2-3,6H2,1H3
InChIKeyVVEZWBQAHRHUMR-UHFFFAOYSA-N
XLogP2.75
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol?
The IUPAC name of 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol (CID 66787839) is 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol.
What is the SMILES notation for 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol?
The canonical SMILES for 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol is CC(O)c1ccn2c(CC3CC3)nnc2c1C(F)(F)F.
What is the InChIKey of 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol?
The InChIKey is VVEZWBQAHRHUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-7(20)9-4-5-19-10(6-8-2-3-8)17-18-12(19)11(9)13(14,15)16/h4-5,7-8,20H,2-3,6H2,1H3.
What are the key properties of 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol?
1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol has a molecular weight of 285.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]ethanol is sourced from PubChem (CID 66787839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).