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

C15H14F3N5S — CID 32801070

IUPACN-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(Cc2cccs2)C2CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H14F3N5S/c1-9-7-12(22(10-4-5-10)8-11-3-2-6-24-11)23-14(19-9)20-13(21-23)15(16,17)18/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyIUXFAADEURTGMA-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.68
Rot. Bonds4

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

N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 32801070) has the molecular formula C15H14F3N5S and a molecular weight of 353.37 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID32801070
Molecular FormulaC15H14F3N5S
Molecular Weight353.37 g/mol
Exact Mass353.09
IUPAC NameN-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(Cc2cccs2)C2CC2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C15H14F3N5S/c1-9-7-12(22(10-4-5-10)8-11-3-2-6-24-11)23-14(19-9)20-13(21-23)15(16,17)18/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyIUXFAADEURTGMA-UHFFFAOYSA-N
XLogP3.68
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 32801070) is N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(Cc2cccs2)C2CC2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IUXFAADEURTGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5S/c1-9-7-12(22(10-4-5-10)8-11-3-2-6-24-11)23-14(19-9)20-13(21-23)15(16,17)18/h2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 32801070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).