formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C14H16F3N9O2 — CID 154920049

IUPACformic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc(C2CCc3ncnn3C2)n(-c2nc(C(F)(F)F)nn2C)n1.O=CO
InChIInChI=1S/C13H14F3N9.CH2O2/c1-7-19-10(8-3-4-9-17-6-18-24(9)5-8)25(21-7)12-20-11(13(14,15)16)22-23(12)2;2-1-3/h6,8H,3-5H2,1-2H3;1H,(H,2,3)
InChIKeyMONHJHDEGHOMNS-UHFFFAOYSA-N
MW399.34 g/mol
LogP0.75
Rot. Bonds2

About formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 154920049) has the molecular formula C14H16F3N9O2 and a molecular weight of 399.34 g/mol. Its IUPAC name is formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameformic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID154920049
Molecular FormulaC14H16F3N9O2
Molecular Weight399.34 g/mol
Exact Mass399.14
IUPAC Nameformic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1nc(C2CCc3ncnn3C2)n(-c2nc(C(F)(F)F)nn2C)n1.O=CO
InChIInChI=1S/C13H14F3N9.CH2O2/c1-7-19-10(8-3-4-9-17-6-18-24(9)5-8)25(21-7)12-20-11(13(14,15)16)22-23(12)2;2-1-3/h6,8H,3-5H2,1-2H3;1H,(H,2,3)
InChIKeyMONHJHDEGHOMNS-UHFFFAOYSA-N
XLogP0.75
TPSA129.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

2',3-dimethyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazole formate
CID 154565305

Frequently Asked Questions

What is the IUPAC name of formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 154920049) is formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1nc(C2CCc3ncnn3C2)n(-c2nc(C(F)(F)F)nn2C)n1.O=CO.
What is the InChIKey of formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MONHJHDEGHOMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N9.CH2O2/c1-7-19-10(8-3-4-9-17-6-18-24(9)5-8)25(21-7)12-20-11(13(14,15)16)22-23(12)2;2-1-3/h6,8H,3-5H2,1-2H3;1H,(H,2,3).
What are the key properties of formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 399.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;6-[5-methyl-2-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 154920049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).