2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C13H13F2N5O2 — CID 162684881

IUPAC2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(COCC(F)F)nc21
InChIInChI=1S/C13H13F2N5O2/c1-21-8-4-2-3-7-11(8)18-13(16)20-12(7)17-10(19-20)6-22-5-9(14)15/h2-4,9H,5-6H2,1H3,(H2,16,18)
InChIKeyLBMYVHLLAIWFDK-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.65
Rot. Bonds5

About 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 162684881) has the molecular formula C13H13F2N5O2 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID162684881
Molecular FormulaC13H13F2N5O2
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(COCC(F)F)nc21
InChIInChI=1S/C13H13F2N5O2/c1-21-8-4-2-3-7-11(8)18-13(16)20-12(7)17-10(19-20)6-22-5-9(14)15/h2-4,9H,5-6H2,1H3,(H2,16,18)
InChIKeyLBMYVHLLAIWFDK-UHFFFAOYSA-N
XLogP1.65
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-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 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 162684881) is 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(COCC(F)F)nc21.
What is the InChIKey of 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is LBMYVHLLAIWFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O2/c1-21-8-4-2-3-7-11(8)18-13(16)20-12(7)17-10(19-20)6-22-5-9(14)15/h2-4,9H,5-6H2,1H3,(H2,16,18).
What are the key properties of 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 309.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 162684881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).