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

C9H8F3N5 — CID 84801952

IUPAC1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine
SMILESNC1(c2cnc3nc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)6-15-7-14-3-5(4-17(7)16-6)8(13)1-2-8/h3-4H,1-2,13H2
InChIKeyKRWGSVNVWFCTJB-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.09
Rot. Bonds1

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

1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine (PubChem CID 84801952) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine
PubChem CID84801952
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine
SMILESNC1(c2cnc3nc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)6-15-7-14-3-5(4-17(7)16-6)8(13)1-2-8/h3-4H,1-2,13H2
InChIKeyKRWGSVNVWFCTJB-UHFFFAOYSA-N
XLogP1.09
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine with MolForge

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Related Compounds

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
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
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-(2-Azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 170784833
2-Chloro-4-(4-cyclopropylpyrazol-1-yl)-5-fluoropyrimidine
CID 172591551
3-(Piperidin-4-ylmethyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174285978
8-(2,2,2-Trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 175883231
6-Butyltetrazolo[1,5-a]pyrimidine
CID 638202
3-{[1,2,4]Triazolo[1,5-a]pyrimidin-6-yl}propan-1-amine
CID 71778069
N-ethyl-5-propyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80840597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine (CID 84801952) is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine is NC1(c2cnc3nc(C(F)(F)F)nn3c2)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine?
The InChIKey is KRWGSVNVWFCTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c10-9(11,12)6-15-7-14-3-5(4-17(7)16-6)8(13)1-2-8/h3-4H,1-2,13H2.
What are the key properties of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine?
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine has a molecular weight of 243.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine is sourced from PubChem (CID 84801952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).