2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine

C13H9F3N4 — CID 23459935

IUPAC2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C13H9F3N4/c1-8-18-11-5-6-17-12(20(11)19-8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
InChIKeyKEBKUNHVTGOZPX-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.12
Rot. Bonds1

About 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine

2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 23459935) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID23459935
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1
InChIInChI=1S/C13H9F3N4/c1-8-18-11-5-6-17-12(20(11)19-8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
InChIKeyKEBKUNHVTGOZPX-UHFFFAOYSA-N
XLogP3.12
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 14467852
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
4-methyl-2-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]pyrimidine
CID 14281179
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
N-[4-(2-methyl-4-pyridinyl)phenyl]-1-propan-2-yl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008480
N-cyclobutyl-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10359460
1-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 71008576
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
2-methyl-7-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 145476630
tert-butyl 1-methyl-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 155952572

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine (CID 23459935) is 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2ccnc(-c3cccc(C(F)(F)F)c3)n2n1.
What is the InChIKey of 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is KEBKUNHVTGOZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c1-8-18-11-5-6-17-12(20(11)19-8)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3.
What are the key properties of 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine?
2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 278.24 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 23459935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).