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

C7H5ClF3N5 — CID 87798365

IUPAC5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(CC(F)(F)F)c(Cl)nc2ncnn12
InChIInChI=1S/C7H5ClF3N5/c8-4-3(1-7(9,10)11)5(12)16-6(15-4)13-2-14-16/h2H,1,12H2
InChIKeyNMSLUIVUTRTRCT-UHFFFAOYSA-N
MW251.60 g/mol
LogP1.46
Rot. Bonds1

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

5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87798365) has the molecular formula C7H5ClF3N5 and a molecular weight of 251.60 g/mol. Its IUPAC name is 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID87798365
Molecular FormulaC7H5ClF3N5
Molecular Weight251.60 g/mol
Exact Mass251.02
IUPAC Name5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(CC(F)(F)F)c(Cl)nc2ncnn12
InChIInChI=1S/C7H5ClF3N5/c8-4-3(1-7(9,10)11)5(12)16-6(15-4)13-2-14-16/h2H,1,12H2
InChIKeyNMSLUIVUTRTRCT-UHFFFAOYSA-N
XLogP1.46
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.60
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 87798365) is 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1c(CC(F)(F)F)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NMSLUIVUTRTRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N5/c8-4-3(1-7(9,10)11)5(12)16-6(15-4)13-2-14-16/h2H,1,12H2.
What are the key properties of 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 251.60 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87798365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).