2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C13H19F3N6O — CID 110455739

IUPAC2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCN1CCN(C2CCc3nc(NC(=O)C(F)(F)F)nn3C2)CC1
InChIInChI=1S/C13H19F3N6O/c1-20-4-6-21(7-5-20)9-2-3-10-17-12(19-22(10)8-9)18-11(23)13(14,15)16/h9H,2-8H2,1H3,(H,18,19,23)
InChIKeySDHQROMYFAPDQG-UHFFFAOYSA-N
MW332.33 g/mol
LogP0.34
Rot. Bonds2

About 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 110455739) has the molecular formula C13H19F3N6O and a molecular weight of 332.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID110455739
Molecular FormulaC13H19F3N6O
Molecular Weight332.33 g/mol
Exact Mass332.16
IUPAC Name2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCN1CCN(C2CCc3nc(NC(=O)C(F)(F)F)nn3C2)CC1
InChIInChI=1S/C13H19F3N6O/c1-20-4-6-21(7-5-20)9-2-3-10-17-12(19-22(10)8-9)18-11(23)13(14,15)16/h9H,2-8H2,1H3,(H,18,19,23)
InChIKeySDHQROMYFAPDQG-UHFFFAOYSA-N
XLogP0.34
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 110455739) is 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is CN1CCN(C2CCc3nc(NC(=O)C(F)(F)F)nn3C2)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is SDHQROMYFAPDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N6O/c1-20-4-6-21(7-5-20)9-2-3-10-17-12(19-22(10)8-9)18-11(23)13(14,15)16/h9H,2-8H2,1H3,(H,18,19,23).
What are the key properties of 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 332.33 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[6-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 110455739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).