3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

C21H23N5O2 — CID 166476295

IUPAC3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCc1nnc2c3cc(OC)c(OC)cc3c(NC(C)c3ccccc3)nn12
InChIInChI=1S/C21H23N5O2/c1-5-19-23-24-21-16-12-18(28-4)17(27-3)11-15(16)20(25-26(19)21)22-13(2)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,22,25)
InChIKeyHHFPJBCIIAKNTO-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.03
Rot. Bonds6

About 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine

3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (PubChem CID 166476295) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.

Molecular Properties

Compound Name3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
PubChem CID166476295
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine
SMILESCCc1nnc2c3cc(OC)c(OC)cc3c(NC(C)c3ccccc3)nn12
InChIInChI=1S/C21H23N5O2/c1-5-19-23-24-21-16-12-18(28-4)17(27-3)11-15(16)20(25-26(19)21)22-13(2)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,22,25)
InChIKeyHHFPJBCIIAKNTO-UHFFFAOYSA-N
XLogP4.03
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-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-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The IUPAC name of 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine (CID 166476295) is 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine.
What is the SMILES notation for 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The canonical SMILES for 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is CCc1nnc2c3cc(OC)c(OC)cc3c(NC(C)c3ccccc3)nn12.
What is the InChIKey of 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
The InChIKey is HHFPJBCIIAKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-5-19-23-24-21-16-12-18(28-4)17(27-3)11-15(16)20(25-26(19)21)22-13(2)14-9-7-6-8-10-14/h6-13H,5H2,1-4H3,(H,22,25).
What are the key properties of 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine?
3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine has a molecular weight of 377.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8,9-dimethoxy-N-(1-phenylethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-amine is sourced from PubChem (CID 166476295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).