2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide

C14H15F3N10O — CID 154817800

IUPAC2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCn1nc(C(F)(F)F)nc1-n1nc(CC(N)=O)nc1C1CCc2ncnn2C1
InChIInChI=1S/C14H15F3N10O/c1-25-13(22-12(24-25)14(15,16)17)27-11(21-9(23-27)4-8(18)28)7-2-3-10-19-6-20-26(10)5-7/h6-7H,2-5H2,1H3,(H2,18,28)
InChIKeyDYTYSZMODWPJNB-UHFFFAOYSA-N
MW396.34 g/mol
LogP-0.24
Rot. Bonds4

About 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide

2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 154817800) has the molecular formula C14H15F3N10O and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
PubChem CID154817800
Molecular FormulaC14H15F3N10O
Molecular Weight396.34 g/mol
Exact Mass396.14
IUPAC Name2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
SMILESCn1nc(C(F)(F)F)nc1-n1nc(CC(N)=O)nc1C1CCc2ncnn2C1
InChIInChI=1S/C14H15F3N10O/c1-25-13(22-12(24-25)14(15,16)17)27-11(21-9(23-27)4-8(18)28)7-2-3-10-19-6-20-26(10)5-7/h6-7H,2-5H2,1H3,(H2,18,28)
InChIKeyDYTYSZMODWPJNB-UHFFFAOYSA-N
XLogP-0.24
TPSA135.22 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

N-methyl-2-[5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 146038154
2',3-dimethyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-7-yl)-5'-(trifluoromethyl)-2'H-1,3'-bi-1,2,4-triazole
CID 146046527
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
2-[1-tert-butyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-1,2,4-triazol-3-yl]acetamide
CID 146039629
2-[1-butyl-5-(5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-1,2,4-triazol-3-yl]acetamide
CID 146044277

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide (CID 154817800) is 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is Cn1nc(C(F)(F)F)nc1-n1nc(CC(N)=O)nc1C1CCc2ncnn2C1.
What is the InChIKey of 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is DYTYSZMODWPJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N10O/c1-25-13(22-12(24-25)14(15,16)17)27-11(21-9(23-27)4-8(18)28)7-2-3-10-19-6-20-26(10)5-7/h6-7H,2-5H2,1H3,(H2,18,28).
What are the key properties of 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide?
2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 396.34 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 154817800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).