N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H14F3N5 — CID 133398525

IUPACN-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(CCC1CC1)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C12H14F3N5/c1-19(5-4-8-2-3-8)10-6-9(12(13,14)15)18-11-16-7-17-20(10)11/h6-8H,2-5H2,1H3
InChIKeyGGUOZOBPHIKGCI-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.38
Rot. Bonds4

About N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133398525) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133398525
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(CCC1CC1)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C12H14F3N5/c1-19(5-4-8-2-3-8)10-6-9(12(13,14)15)18-11-16-7-17-20(10)11/h6-8H,2-5H2,1H3
InChIKeyGGUOZOBPHIKGCI-UHFFFAOYSA-N
XLogP2.38
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133398525) is N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(CCC1CC1)c1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GGUOZOBPHIKGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-19(5-4-8-2-3-8)10-6-9(12(13,14)15)18-11-16-7-17-20(10)11/h6-8H,2-5H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 285.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-N-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133398525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).