1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine

C10H12F3N5 — CID 145341927

IUPAC1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C10H12F3N5/c1-5-7(4-14-3)6(2)18-9(15-5)16-8(17-18)10(11,12)13/h14H,4H2,1-3H3
InChIKeyHJXJQTYJSJOEQR-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.48
Rot. Bonds2

About 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine

1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine (PubChem CID 145341927) has the molecular formula C10H12F3N5 and a molecular weight of 259.23 g/mol. Its IUPAC name is 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine
PubChem CID145341927
Molecular FormulaC10H12F3N5
Molecular Weight259.23 g/mol
Exact Mass259.10
IUPAC Name1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine
SMILESCNCc1c(C)nc2nc(C(F)(F)F)nn2c1C
InChIInChI=1S/C10H12F3N5/c1-5-7(4-14-3)6(2)18-9(15-5)16-8(17-18)10(11,12)13/h14H,4H2,1-3H3
InChIKeyHJXJQTYJSJOEQR-UHFFFAOYSA-N
XLogP1.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine (CID 145341927) is 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine is CNCc1c(C)nc2nc(C(F)(F)F)nn2c1C.
What is the InChIKey of 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine?
The InChIKey is HJXJQTYJSJOEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-5-7(4-14-3)6(2)18-9(15-5)16-8(17-18)10(11,12)13/h14H,4H2,1-3H3.
What are the key properties of 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine?
1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine has a molecular weight of 259.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 145341927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).