4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine

C13H15F3N6O — CID 126851362

IUPAC4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2nnc3n2CC(C(F)(F)F)CC3)n1
InChIInChI=1S/C13H15F3N6O/c1-23-11-4-5-17-12(19-11)18-6-10-21-20-9-3-2-8(7-22(9)10)13(14,15)16/h4-5,8H,2-3,6-7H2,1H3,(H,17,18,19)
InChIKeyCZTIYXKHCNMIJE-UHFFFAOYSA-N
MW328.30 g/mol
LogP1.81
Rot. Bonds4

About 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine

4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 126851362) has the molecular formula C13H15F3N6O and a molecular weight of 328.30 g/mol. Its IUPAC name is 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine
PubChem CID126851362
Molecular FormulaC13H15F3N6O
Molecular Weight328.30 g/mol
Exact Mass328.13
IUPAC Name4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2nnc3n2CC(C(F)(F)F)CC3)n1
InChIInChI=1S/C13H15F3N6O/c1-23-11-4-5-17-12(19-11)18-6-10-21-20-9-3-2-8(7-22(9)10)13(14,15)16/h4-5,8H,2-3,6-7H2,1H3,(H,17,18,19)
InChIKeyCZTIYXKHCNMIJE-UHFFFAOYSA-N
XLogP1.81
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-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 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine (CID 126851362) is 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine is COc1ccnc(NCc2nnc3n2CC(C(F)(F)F)CC3)n1.
What is the InChIKey of 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is CZTIYXKHCNMIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O/c1-23-11-4-5-17-12(19-11)18-6-10-21-20-9-3-2-8(7-22(9)10)13(14,15)16/h4-5,8H,2-3,6-7H2,1H3,(H,17,18,19).
What are the key properties of 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine?
4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 328.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 126851362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).