5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C10H10F3N5 — CID 163354019

IUPAC5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC(C(F)(F)F)C2)n2ncnc2n1
InChIInChI=1S/C10H10F3N5/c1-6-2-8(18-9(16-6)14-5-15-18)17-3-7(4-17)10(11,12)13/h2,5,7H,3-4H2,1H3
InChIKeyRARMXAAAWFGIRA-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.43
Rot. Bonds1

About 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 163354019) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID163354019
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CC(C(F)(F)F)C2)n2ncnc2n1
InChIInChI=1S/C10H10F3N5/c1-6-2-8(18-9(16-6)14-5-15-18)17-3-7(4-17)10(11,12)13/h2,5,7H,3-4H2,1H3
InChIKeyRARMXAAAWFGIRA-UHFFFAOYSA-N
XLogP1.43
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 60916273
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate
CID 133444639
7-(3,3-difluoropyrrolidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122269226
5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126893828
5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163356731
ethane;5-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 145341902
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 42942271
5-methyl-7-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 139027873
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 163354019) is 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CC(C(F)(F)F)C2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RARMXAAAWFGIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-6-2-8(18-9(16-6)14-5-15-18)17-3-7(4-17)10(11,12)13/h2,5,7H,3-4H2,1H3.
What are the key properties of 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 257.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163354019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).