6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C10H11F3N6 — CID 84809799

IUPAC6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2ncc(N3CCNCC3)cn2n1
InChIInChI=1S/C10H11F3N6/c11-10(12,13)8-16-9-15-5-7(6-19(9)17-8)18-3-1-14-2-4-18/h5-6,14H,1-4H2
InChIKeyNSTDMMQQXDROGK-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.55
Rot. Bonds1

About 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 84809799) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID84809799
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1nc2ncc(N3CCNCC3)cn2n1
InChIInChI=1S/C10H11F3N6/c11-10(12,13)8-16-9-15-5-7(6-19(9)17-8)18-3-1-14-2-4-18/h5-6,14H,1-4H2
InChIKeyNSTDMMQQXDROGK-UHFFFAOYSA-N
XLogP0.55
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclobutane-1-carbonitrile
CID 84808052
3-amino-1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-ol
CID 84806723
5-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 117212437
1-[1-[2-(trifluoromethyl)phenyl]pyrazol-4-yl]piperazine
CID 117210977
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446
5-piperazin-1-yl-2-propan-2-ylpyrimidine
CID 84674611
1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
CID 176727239
2-tert-butyl-7-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117236422
1-(6-fluoro-3-pyridinyl)-1,4-diazepane
CID 45116239
1-(1-cyclopropylpyrazol-4-yl)piperazine
CID 84772475

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 84809799) is 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is FC(F)(F)c1nc2ncc(N3CCNCC3)cn2n1.
What is the InChIKey of 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NSTDMMQQXDROGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c11-10(12,13)8-16-9-15-5-7(6-19(9)17-8)18-3-1-14-2-4-18/h5-6,14H,1-4H2.
What are the key properties of 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 272.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84809799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).