3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine

C19H20N8O2 — CID 90390367

IUPAC3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCOCCOc1ccc(-n2nnc3cnc(NCc4cnc(C)cn4)nc32)cc1
InChIInChI=1S/C19H20N8O2/c1-13-9-21-14(10-20-13)11-22-19-23-12-17-18(24-19)27(26-25-17)15-3-5-16(6-4-15)29-8-7-28-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23,24)
InChIKeyWRPFFULJQGONMB-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.95
Rot. Bonds8

About 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine

3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 90390367) has the molecular formula C19H20N8O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID90390367
Molecular FormulaC19H20N8O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC Name3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine
SMILESCOCCOc1ccc(-n2nnc3cnc(NCc4cnc(C)cn4)nc32)cc1
InChIInChI=1S/C19H20N8O2/c1-13-9-21-14(10-20-13)11-22-19-23-12-17-18(24-19)27(26-25-17)15-3-5-16(6-4-15)29-8-7-28-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23,24)
InChIKeyWRPFFULJQGONMB-UHFFFAOYSA-N
XLogP1.95
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-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 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine (CID 90390367) is 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine is COCCOc1ccc(-n2nnc3cnc(NCc4cnc(C)cn4)nc32)cc1.
What is the InChIKey of 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is WRPFFULJQGONMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O2/c1-13-9-21-14(10-20-13)11-22-19-23-12-17-18(24-19)27(26-25-17)15-3-5-16(6-4-15)29-8-7-28-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,22,23,24).
What are the key properties of 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine?
3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 392.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethoxy)phenyl]-N-[(5-methylpyrazin-2-yl)methyl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 90390367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).