5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C8H7ClF3N5 — CID 103076192

IUPAC5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC(F)(F)F
InChIInChI=1S/C8H7ClF3N5/c1-4-5(9)16-7-14-3-15-17(7)6(4)13-2-8(10,11)12/h3,13H,2H2,1H3
InChIKeyYXFDFPDFLDSTDQ-UHFFFAOYSA-N
MW265.63 g/mol
LogP2.06
Rot. Bonds2

About 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076192) has the molecular formula C8H7ClF3N5 and a molecular weight of 265.63 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076192
Molecular FormulaC8H7ClF3N5
Molecular Weight265.63 g/mol
Exact Mass265.03
IUPAC Name5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCC(F)(F)F
InChIInChI=1S/C8H7ClF3N5/c1-4-5(9)16-7-14-3-15-17(7)6(4)13-2-8(10,11)12/h3,13H,2H2,1H3
InChIKeyYXFDFPDFLDSTDQ-UHFFFAOYSA-N
XLogP2.06
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.63
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076192) is 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCC(F)(F)F.
What is the InChIKey of 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YXFDFPDFLDSTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N5/c1-4-5(9)16-7-14-3-15-17(7)6(4)13-2-8(10,11)12/h3,13H,2H2,1H3.
What are the key properties of 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 265.63 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).