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

C10H7F3N6 — CID 71596495

IUPAC5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cccn2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C10H7F3N6/c1-6-5-7(18-4-2-3-14-18)19-9(15-6)16-8(17-19)10(11,12)13/h2-5H,1H3
InChIKeyHDJILOPAQWASBY-UHFFFAOYSA-N
MW268.20 g/mol
LogP1.64
Rot. Bonds1

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

5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 71596495) has the molecular formula C10H7F3N6 and a molecular weight of 268.20 g/mol. Its IUPAC name is 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID71596495
Molecular FormulaC10H7F3N6
Molecular Weight268.20 g/mol
Exact Mass268.07
IUPAC Name5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cccn2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C10H7F3N6/c1-6-5-7(18-4-2-3-14-18)19-9(15-6)16-8(17-19)10(11,12)13/h2-5H,1H3
InChIKeyHDJILOPAQWASBY-UHFFFAOYSA-N
XLogP1.64
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 71596495) is 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(-n2cccn2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HDJILOPAQWASBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N6/c1-6-5-7(18-4-2-3-14-18)19-9(15-6)16-8(17-19)10(11,12)13/h2-5H,1H3.
What are the key properties of 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 268.20 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-pyrazol-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 71596495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).