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

C9H9ClF3N5 — CID 103076289

IUPAC5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)CC(F)(F)F
InChIInChI=1S/C9H9ClF3N5/c1-5-6(10)16-8-14-4-15-18(8)7(5)17(2)3-9(11,12)13/h4H,3H2,1-2H3
InChIKeyOKSOQBGPMIKQEH-UHFFFAOYSA-N
MW279.65 g/mol
LogP2.08
Rot. Bonds2

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

5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076289) has the molecular formula C9H9ClF3N5 and a molecular weight of 279.65 g/mol. Its IUPAC name is 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076289
Molecular FormulaC9H9ClF3N5
Molecular Weight279.65 g/mol
Exact Mass279.05
IUPAC Name5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1N(C)CC(F)(F)F
InChIInChI=1S/C9H9ClF3N5/c1-5-6(10)16-8-14-4-15-18(8)7(5)17(2)3-9(11,12)13/h4H,3H2,1-2H3
InChIKeyOKSOQBGPMIKQEH-UHFFFAOYSA-N
XLogP2.08
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076289) is 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1N(C)CC(F)(F)F.
What is the InChIKey of 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OKSOQBGPMIKQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N5/c1-5-6(10)16-8-14-4-15-18(8)7(5)17(2)3-9(11,12)13/h4H,3H2,1-2H3.
What are the key properties of 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.65 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,6-dimethyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).