thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone

C16H14F3N5OS — CID 53203686

IUPACthiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCN(c2nnc3ccc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C16H14F3N5OS/c17-16(18,19)12-1-2-13-20-21-15(24(13)9-12)23-6-4-22(5-7-23)14(25)11-3-8-26-10-11/h1-3,8-10H,4-7H2
InChIKeyBHTGLNAKZNRYKY-UHFFFAOYSA-N
MW381.38 g/mol
LogP2.77
Rot. Bonds2

About thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone

thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone (PubChem CID 53203686) has the molecular formula C16H14F3N5OS and a molecular weight of 381.38 g/mol. Its IUPAC name is thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namethiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone
PubChem CID53203686
Molecular FormulaC16H14F3N5OS
Molecular Weight381.38 g/mol
Exact Mass381.09
IUPAC Namethiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccsc1)N1CCN(c2nnc3ccc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C16H14F3N5OS/c17-16(18,19)12-1-2-13-20-21-15(24(13)9-12)23-6-4-22(5-7-23)14(25)11-3-8-26-10-11/h1-3,8-10H,4-7H2
InChIKeyBHTGLNAKZNRYKY-UHFFFAOYSA-N
XLogP2.77
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone (CID 53203686) is thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone is O=C(c1ccsc1)N1CCN(c2nnc3ccc(C(F)(F)F)cn23)CC1.
What is the InChIKey of thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone?
The InChIKey is BHTGLNAKZNRYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS/c17-16(18,19)12-1-2-13-20-21-15(24(13)9-12)23-6-4-22(5-7-23)14(25)11-3-8-26-10-11/h1-3,8-10H,4-7H2.
What are the key properties of thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone?
thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone has a molecular weight of 381.38 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-3-yl-[4-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53203686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).