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

C10H12F3N5 — CID 84806147

IUPAC3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine
SMILESCC(CCN)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H12F3N5/c1-6(2-3-14)7-4-15-9-16-8(10(11,12)13)17-18(9)5-7/h4-6H,2-3,14H2,1H3
InChIKeySWMMKLVZEIRQGO-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.60
Rot. Bonds3

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

3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine (PubChem CID 84806147) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine
PubChem CID84806147
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine
SMILESCC(CCN)c1cnc2nc(C(F)(F)F)nn2c1
InChIInChI=1S/C10H12F3N5/c1-6(2-3-14)7-4-15-9-16-8(10(11,12)13)17-18(9)5-7/h4-6H,2-3,14H2,1H3
InChIKeySWMMKLVZEIRQGO-UHFFFAOYSA-N
XLogP1.60
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-methyl-N-[1-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 50964673
3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
1-(3-([1,2,4]Triazolo[1,5-a]pyrimidin-6-yl)propyl)-3-(tert-butyl)urea
CID 91813907
5-sec-butyl-6-chloro-2-(4-chloro-1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 16678108
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
5-sec-butyl-6-fluoro-2-(1H-pyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyrimidine-4-amine
CID 68949693
5-Sec-butyl-n4, n4-diethyl-2-(1h-pyrazol-1-yl)-n6-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 69254965
2-(1-Methylpyrazol-4-yl)-2-[4-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 117870362
N-(fluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141267635
N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142791630
2-(1-Methylpyrazol-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 142794012
6-butan-2-yl-5-chloro-3-ethyl-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143059516

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine (CID 84806147) is 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine is CC(CCN)c1cnc2nc(C(F)(F)F)nn2c1.
What is the InChIKey of 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine?
The InChIKey is SWMMKLVZEIRQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-6(2-3-14)7-4-15-9-16-8(10(11,12)13)17-18(9)5-7/h4-6H,2-3,14H2,1H3.
What are the key properties of 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine?
3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine has a molecular weight of 259.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]butan-1-amine is sourced from PubChem (CID 84806147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).