3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C63H60F3N21O14 — CID 161225732

IUPAC3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nnc2c(C(=O)O)cccn12.CC(C)c1nnc2c(C(=O)O)cccn12.CCCc1nnc2c(C(=O)O)cccn12.CCc1nnc2c(C(=O)O)cccn12.Cc1nnc2c(C(=O)O)cccn12.O=C(O)c1cccn2c(C(F)(F)F)nnc12.O=C(O)c1cccn2cnnc12
InChIInChI=1S/C11H13N3O2.2C10H11N3O2.C9H9N3O2.C8H4F3N3O2.C8H7N3O2.C7H5N3O2/c1-11(2,3)10-13-12-8-7(9(15)16)5-4-6-14(8)10;1-6(2)8-11-12-9-7(10(14)15)4-3-5-13(8)9;1-2-4-8-11-12-9-7(10(14)15)5-3-6-13(8)9;1-2-7-10-11-8-6(9(13)14)4-3-5-12(7)8;9-8(10,11)7-13-12-5-4(6(15)16)2-1-3-14(5)7;1-5-9-10-7-6(8(12)13)3-2-4-11(5)7;11-7(12)5-2-1-3-10-4-8-9-6(5)10/h4-6H,1-3H3,(H,15,16);3-6H,1-2H3,(H,14,15);3,5-6H,2,4H2,1H3,(H,14,15);3-5H,2H2,1H3,(H,13,14);1-3H,(H,15,16);2-4H,1H3,(H,12,13);1-4H,(H,11,12)
InChIKeyUYCBSNVRHTXGLG-UHFFFAOYSA-N
MW1392.30 g/mol
LogP8.26
Rot. Bonds11

About 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 161225732) has the molecular formula C63H60F3N21O14 and a molecular weight of 1392.30 g/mol. Its IUPAC name is 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID161225732
Molecular FormulaC63H60F3N21O14
Molecular Weight1392.30 g/mol
Exact Mass1391.46
IUPAC Name3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)c1nnc2c(C(=O)O)cccn12.CC(C)c1nnc2c(C(=O)O)cccn12.CCCc1nnc2c(C(=O)O)cccn12.CCc1nnc2c(C(=O)O)cccn12.Cc1nnc2c(C(=O)O)cccn12.O=C(O)c1cccn2c(C(F)(F)F)nnc12.O=C(O)c1cccn2cnnc12
InChIInChI=1S/C11H13N3O2.2C10H11N3O2.C9H9N3O2.C8H4F3N3O2.C8H7N3O2.C7H5N3O2/c1-11(2,3)10-13-12-8-7(9(15)16)5-4-6-14(8)10;1-6(2)8-11-12-9-7(10(14)15)4-3-5-13(8)9;1-2-4-8-11-12-9-7(10(14)15)5-3-6-13(8)9;1-2-7-10-11-8-6(9(13)14)4-3-5-12(7)8;9-8(10,11)7-13-12-5-4(6(15)16)2-1-3-14(5)7;1-5-9-10-7-6(8(12)13)3-2-4-11(5)7;11-7(12)5-2-1-3-10-4-8-9-6(5)10/h4-6H,1-3H3,(H,15,16);3-6H,1-2H3,(H,14,15);3,5-6H,2,4H2,1H3,(H,14,15);3-5H,2H2,1H3,(H,13,14);1-3H,(H,15,16);2-4H,1H3,(H,12,13);1-4H,(H,11,12)
InChIKeyUYCBSNVRHTXGLG-UHFFFAOYSA-N
XLogP8.26
TPSA472.43 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds11
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001392.30
LogP ≤ 58.26
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Analyze 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 161225732) is 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is CC(C)(C)c1nnc2c(C(=O)O)cccn12.CC(C)c1nnc2c(C(=O)O)cccn12.CCCc1nnc2c(C(=O)O)cccn12.CCc1nnc2c(C(=O)O)cccn12.Cc1nnc2c(C(=O)O)cccn12.O=C(O)c1cccn2c(C(F)(F)F)nnc12.O=C(O)c1cccn2cnnc12.
What is the InChIKey of 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is UYCBSNVRHTXGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.2C10H11N3O2.C9H9N3O2.C8H4F3N3O2.C8H7N3O2.C7H5N3O2/c1-11(2,3)10-13-12-8-7(9(15)16)5-4-6-14(8)10;1-6(2)8-11-12-9-7(10(14)15)4-3-5-13(8)9;1-2-4-8-11-12-9-7(10(14)15)5-3-6-13(8)9;1-2-7-10-11-8-6(9(13)14)4-3-5-12(7)8;9-8(10,11)7-13-12-5-4(6(15)16)2-1-3-14(5)7;1-5-9-10-7-6(8(12)13)3-2-4-11(5)7;11-7(12)5-2-1-3-10-4-8-9-6(5)10/h4-6H,1-3H3,(H,15,16);3-6H,1-2H3,(H,14,15);3,5-6H,2,4H2,1H3,(H,14,15);3-5H,2H2,1H3,(H,13,14);1-3H,(H,15,16);2-4H,1H3,(H,12,13);1-4H,(H,11,12).
What are the key properties of 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 1392.30 g/mol, XLogP of 8.26, 11 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 161225732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).