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

C10H11ClF3N5 — CID 87798247

IUPAC5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(Cl)nc2ncnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C10H11ClF3N5/c1-3-6-7(11)18-9-15-4-16-19(9)8(6)17-5(2)10(12,13)14/h4-5,17H,3H2,1-2H3
InChIKeyYQCDEHLPLVOEJT-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.70
Rot. Bonds3

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

5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87798247) has the molecular formula C10H11ClF3N5 and a molecular weight of 293.68 g/mol. Its IUPAC name is 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID87798247
Molecular FormulaC10H11ClF3N5
Molecular Weight293.68 g/mol
Exact Mass293.07
IUPAC Name5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(Cl)nc2ncnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C10H11ClF3N5/c1-3-6-7(11)18-9-15-4-16-19(9)8(6)17-5(2)10(12,13)14/h4-5,17H,3H2,1-2H3
InChIKeyYQCDEHLPLVOEJT-UHFFFAOYSA-N
XLogP2.70
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 87798247) is 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1c(Cl)nc2ncnn2c1NC(C)C(F)(F)F.
What is the InChIKey of 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is YQCDEHLPLVOEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N5/c1-3-6-7(11)18-9-15-4-16-19(9)8(6)17-5(2)10(12,13)14/h4-5,17H,3H2,1-2H3.
What are the key properties of 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.68 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87798247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).