5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C14H19F3N4 — CID 146521970

IUPAC5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC(c1c(C)nc2nc(C(F)(F)F)nn2c1C)C(C)C
InChIInChI=1S/C14H19F3N4/c1-6-10(7(2)3)11-8(4)18-13-19-12(14(15,16)17)20-21(13)9(11)5/h7,10H,6H2,1-5H3
InChIKeyPNBCJQIHAKTBFX-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.91
Rot. Bonds3

About 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 146521970) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID146521970
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCC(c1c(C)nc2nc(C(F)(F)F)nn2c1C)C(C)C
InChIInChI=1S/C14H19F3N4/c1-6-10(7(2)3)11-8(4)18-13-19-12(14(15,16)17)20-21(13)9(11)5/h7,10H,6H2,1-5H3
InChIKeyPNBCJQIHAKTBFX-UHFFFAOYSA-N
XLogP3.91
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 146521970) is 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCC(c1c(C)nc2nc(C(F)(F)F)nn2c1C)C(C)C.
What is the InChIKey of 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PNBCJQIHAKTBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c1-6-10(7(2)3)11-8(4)18-13-19-12(14(15,16)17)20-21(13)9(11)5/h7,10H,6H2,1-5H3.
What are the key properties of 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 300.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(2-methylpentan-3-yl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146521970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).