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

C12H12F3N3O — CID 66787622

IUPAC[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(CC3CC3)nnc2c1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)10-8(6-19)3-4-18-9(5-7-1-2-7)16-17-11(10)18/h3-4,7,19H,1-2,5-6H2
InChIKeyANPUCWOAZXAISZ-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.19
Rot. Bonds3

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

[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (PubChem CID 66787622) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
PubChem CID66787622
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol
SMILESOCc1ccn2c(CC3CC3)nnc2c1C(F)(F)F
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)10-8(6-19)3-4-18-9(5-7-1-2-7)16-17-11(10)18/h3-4,7,19H,1-2,5-6H2
InChIKeyANPUCWOAZXAISZ-UHFFFAOYSA-N
XLogP2.19
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The IUPAC name of [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol (CID 66787622) is [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is OCc1ccn2c(CC3CC3)nnc2c1C(F)(F)F.
What is the InChIKey of [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
The InChIKey is ANPUCWOAZXAISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)10-8(6-19)3-4-18-9(5-7-1-2-7)16-17-11(10)18/h3-4,7,19H,1-2,5-6H2.
What are the key properties of [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol?
[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol has a molecular weight of 271.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanol is sourced from PubChem (CID 66787622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).