[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol

C9H9F2N3O — CID 161026610

IUPAC[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESCc1c(CO)ccn2c(C(F)F)nnc12
InChIInChI=1S/C9H9F2N3O/c1-5-6(4-15)2-3-14-8(5)12-13-9(14)7(10)11/h2-3,7,15H,4H2,1H3
InChIKeyTZBGXWJMMRUMPX-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.47
Rot. Bonds2

About [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol

[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (PubChem CID 161026610) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
PubChem CID161026610
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESCc1c(CO)ccn2c(C(F)F)nnc12
InChIInChI=1S/C9H9F2N3O/c1-5-6(4-15)2-3-14-8(5)12-13-9(14)7(10)11/h2-3,7,15H,4H2,1H3
InChIKeyTZBGXWJMMRUMPX-UHFFFAOYSA-N
XLogP1.47
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Pyridin-3-yl-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
CID 44125830
US10800776, Example 21
CID 132159527
[2-([1,2,4]Triazolo[4,3-a]pyridin-6-yl)phenyl]methanol
CID 49786340
2-(8-Fluoroimidazo[1,2-a]pyridin-7-yl)propan-2-ol
CID 44408729
2-(Imidazo[1,2-a]pyridin-7-yl)propan-2-ol
CID 44408927
2-(5-(6-Fluoro-[1,2,4] triazolo[1,5-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 71538155
Imidazo[1,2-a]pyridine-7-methanol
CID 11051824
{Imidazo[1,2-a]pyridin-7-yl}methanol hydrochloride
CID 19883500
(2-(1H-Pyrazol-1-YL)pyridin-4-YL)methanol
CID 61256684
3-Methyl-(1,2,4)triazolo(4,3-a)pyridine-7-carboxylic acid
CID 70354825
{[1,2,4]Triazolo[1,5-a]pyridin-7-yl}methanol
CID 129981073
[1,2,4]Triazolo[1,5-A]pyridin-8-ylmethanol
CID 129981074

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The IUPAC name of [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (CID 161026610) is [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is Cc1c(CO)ccn2c(C(F)F)nnc12.
What is the InChIKey of [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The InChIKey is TZBGXWJMMRUMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-5-6(4-15)2-3-14-8(5)12-13-9(14)7(10)11/h2-3,7,15H,4H2,1H3.
What are the key properties of [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
[3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol has a molecular weight of 213.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is sourced from PubChem (CID 161026610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).