3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine

C16H16F3N7 — CID 7192825

IUPAC3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine
SMILESCn1nnc2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncnc21
InChIInChI=1S/C16H16F3N7/c1-24-14-13(22-23-24)15(21-10-20-14)26-7-5-25(6-8-26)12-4-2-3-11(9-12)16(17,18)19/h2-4,9-10H,5-8H2,1H3
InChIKeyJLYLSYOOOLSMST-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.10
Rot. Bonds2

About 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine

3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine (PubChem CID 7192825) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine
PubChem CID7192825
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC Name3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine
SMILESCn1nnc2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncnc21
InChIInChI=1S/C16H16F3N7/c1-24-14-13(22-23-24)15(21-10-20-14)26-7-5-25(6-8-26)12-4-2-3-11(9-12)16(17,18)19/h2-4,9-10H,5-8H2,1H3
InChIKeyJLYLSYOOOLSMST-UHFFFAOYSA-N
XLogP2.10
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
3-(3-methoxyphenyl)-7-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]triazolo[4,5-d]pyrimidine
CID 41245660
4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-5H-pyrimido[5,4-b]indole;hydrochloride
CID 139771276
2,4-dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1,2,4-triazine-3,5-dione
CID 58269761
4-pyrrolidin-1-yl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 122282293
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
[4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 41244400
4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282517
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 163351981
3-(4-chlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 20873369
1-methyl-3-(trifluoromethyl)-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazole-4-carbonitrile
CID 3706236
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine?
The IUPAC name of 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine (CID 7192825) is 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine is Cn1nnc2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)ncnc21.
What is the InChIKey of 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine?
The InChIKey is JLYLSYOOOLSMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c1-24-14-13(22-23-24)15(21-10-20-14)26-7-5-25(6-8-26)12-4-2-3-11(9-12)16(17,18)19/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine?
3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine has a molecular weight of 363.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 7192825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).