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

C15H22F3N5 — CID 142791630

IUPACN-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCc1cnc2ncnn2c1NC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C15H22F3N5/c1-10(7-14(2,3)4)5-6-11-8-19-13-20-9-21-23(13)12(11)22-15(16,17)18/h8-10,22H,5-7H2,1-4H3
InChIKeyJRRDHKYEUFIEIT-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.06
Rot. Bonds5

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

N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 142791630) has the molecular formula C15H22F3N5 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID142791630
Molecular FormulaC15H22F3N5
Molecular Weight329.37 g/mol
Exact Mass329.18
IUPAC NameN-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(CCc1cnc2ncnn2c1NC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C15H22F3N5/c1-10(7-14(2,3)4)5-6-11-8-19-13-20-9-21-23(13)12(11)22-15(16,17)18/h8-10,22H,5-7H2,1-4H3
InChIKeyJRRDHKYEUFIEIT-UHFFFAOYSA-N
XLogP4.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-(Trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 15982085
5-(Trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 68739624
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
6-Octyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 123796277
N,N-dimethyl-6-(5,6,6-trifluorohex-5-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141150483
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141267635
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 170784833
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 170785052
3-(2-Azaspiro[3.3]heptan-6-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 171533004
3-(Piperidin-4-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285978
3-(4,4-Difluorocyclohexyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 176899045
4-Nonyl-1-pyrimidin-2-ylpyrazol-5-amine
CID 14306848

Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 142791630) is N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(CCc1cnc2ncnn2c1NC(F)(F)F)CC(C)(C)C.
What is the InChIKey of N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JRRDHKYEUFIEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5/c1-10(7-14(2,3)4)5-6-11-8-19-13-20-9-21-23(13)12(11)22-15(16,17)18/h8-10,22H,5-7H2,1-4H3.
What are the key properties of N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(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 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 142791630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).