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

C10H10F3N5 — CID 84805520

IUPAC[1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine
SMILESNCC1(c2cnc3nc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)7-16-8-15-3-6(4-18(8)17-7)9(5-14)1-2-9/h3-4H,1-2,5,14H2
InChIKeyKBLIMLUHLXOCDK-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.13
Rot. Bonds2

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

[1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine (PubChem CID 84805520) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine
PubChem CID84805520
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name[1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine
SMILESNCC1(c2cnc3nc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C10H10F3N5/c11-10(12,13)7-16-8-15-3-6(4-18(8)17-7)9(5-14)1-2-9/h3-4H,1-2,5,14H2
InChIKeyKBLIMLUHLXOCDK-UHFFFAOYSA-N
XLogP1.13
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-((1,2,4)Triazolo(1,5-a)pyrimidin-6-yl)propan-1-amine dihydrochloride
CID 91623794
8-cyclopentyl-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 68940652
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
3-Tert-butyl-6-fluoropyrazolo[1,5-a]pyrimidin-2-amine
CID 164955557
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
8-(2,2,2-Trifluoroethyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 175883231
3-{[1,2,4]Triazolo[1,5-a]pyrimidin-6-yl}propan-1-amine
CID 71778069

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine (CID 84805520) is [1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine is NCC1(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]cyclopropyl]methanamine?
The InChIKey is KBLIMLUHLXOCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c11-10(12,13)7-16-8-15-3-6(4-18(8)17-7)9(5-14)1-2-9/h3-4H,1-2,5,14H2.
What are the key properties of [1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine?
[1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine has a molecular weight of 257.22 g/mol, XLogP of 1.13, 2 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]cyclopropyl]methanamine is sourced from PubChem (CID 84805520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).