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

C10H11ClF3N5 — CID 103076474

IUPAC5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC(F)(F)F)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C10H11ClF3N5/c1-3-18(4-10(12,13)14)8-6(2)7(11)17-9-15-5-16-19(8)9/h5H,3-4H2,1-2H3
InChIKeyLWPNAOMALPPLJF-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.47
Rot. Bonds3

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

5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076474) has the molecular formula C10H11ClF3N5 and a molecular weight of 293.68 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076474
Molecular FormulaC10H11ClF3N5
Molecular Weight293.68 g/mol
Exact Mass293.07
IUPAC Name5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCN(CC(F)(F)F)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C10H11ClF3N5/c1-3-18(4-10(12,13)14)8-6(2)7(11)17-9-15-5-16-19(8)9/h5H,3-4H2,1-2H3
InChIKeyLWPNAOMALPPLJF-UHFFFAOYSA-N
XLogP2.47
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076474) is 5-chloro-N-ethyl-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-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCN(CC(F)(F)F)c1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LWPNAOMALPPLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N5/c1-3-18(4-10(12,13)14)8-6(2)7(11)17-9-15-5-16-19(8)9/h5H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.68 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).