5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H22F3N5 — CID 15982085

IUPAC5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCc1c(C(F)(F)F)nc2ncnn2c1N)CC(C)(C)C
InChIInChI=1S/C15H22F3N5/c1-9(7-14(2,3)4)5-6-10-11(15(16,17)18)22-13-20-8-21-23(13)12(10)19/h8-9H,5-7,19H2,1-4H3
InChIKeyYAMQANKWRWEJBN-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.73
Rot. Bonds4

About 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 15982085) has the molecular formula C15H22F3N5 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID15982085
Molecular FormulaC15H22F3N5
Molecular Weight329.37 g/mol
Exact Mass329.18
IUPAC Name5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCc1c(C(F)(F)F)nc2ncnn2c1N)CC(C)(C)C
InChIInChI=1S/C15H22F3N5/c1-9(7-14(2,3)4)5-6-10-11(15(16,17)18)22-13-20-8-21-23(13)12(10)19/h8-9H,5-7,19H2,1-4H3
InChIKeyYAMQANKWRWEJBN-UHFFFAOYSA-N
XLogP3.73
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 15982085) is 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(CCc1c(C(F)(F)F)nc2ncnn2c1N)CC(C)(C)C.
What is the InChIKey of 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YAMQANKWRWEJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5/c1-9(7-14(2,3)4)5-6-10-11(15(16,17)18)22-13-20-8-21-23(13)12(10)19/h8-9H,5-7,19H2,1-4H3.
What are the key properties of 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 329.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 15982085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).