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

C11H13ClF3N5 — CID 103076478

IUPAC5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CC(F)(F)F)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H13ClF3N5/c1-3-4-19(5-11(13,14)15)9-7(2)8(12)18-10-16-6-17-20(9)10/h6H,3-5H2,1-2H3
InChIKeyFLWWFIVCZIRLIE-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.86
Rot. Bonds4

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

5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076478) has the molecular formula C11H13ClF3N5 and a molecular weight of 307.71 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076478
Molecular FormulaC11H13ClF3N5
Molecular Weight307.71 g/mol
Exact Mass307.08
IUPAC Name5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CC(F)(F)F)c1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H13ClF3N5/c1-3-4-19(5-11(13,14)15)9-7(2)8(12)18-10-16-6-17-20(9)10/h6H,3-5H2,1-2H3
InChIKeyFLWWFIVCZIRLIE-UHFFFAOYSA-N
XLogP2.86
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076478) is 5-chloro-6-methyl-N-propyl-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-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCN(CC(F)(F)F)c1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FLWWFIVCZIRLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N5/c1-3-4-19(5-11(13,14)15)9-7(2)8(12)18-10-16-6-17-20(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 307.71 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).