2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine

C30H26N6O — CID 11213916

IUPAC2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine
SMILESc1ccc(CCNCc2cccc(COc3nn4c(-c5ccccc5)nnc4c4ccccc34)n2)cc1
InChIInChI=1S/C30H26N6O/c1-3-10-22(11-4-1)18-19-31-20-24-14-9-15-25(32-24)21-37-30-27-17-8-7-16-26(27)29-34-33-28(36(29)35-30)23-12-5-2-6-13-23/h1-17,31H,18-21H2
InChIKeyBYBVYBPNKHNUTQ-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.25
Rot. Bonds9

About 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine

2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine (PubChem CID 11213916) has the molecular formula C30H26N6O and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine
PubChem CID11213916
Molecular FormulaC30H26N6O
Molecular Weight486.58 g/mol
Exact Mass486.22
IUPAC Name2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine
SMILESc1ccc(CCNCc2cccc(COc3nn4c(-c5ccccc5)nnc4c4ccccc34)n2)cc1
InChIInChI=1S/C30H26N6O/c1-3-10-22(11-4-1)18-19-31-20-24-14-9-15-25(32-24)21-37-30-27-17-8-7-16-26(27)29-34-33-28(36(29)35-30)23-12-5-2-6-13-23/h1-17,31H,18-21H2
InChIKeyBYBVYBPNKHNUTQ-UHFFFAOYSA-N
XLogP5.25
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine 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-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine (CID 11213916) is 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine is c1ccc(CCNCc2cccc(COc3nn4c(-c5ccccc5)nnc4c4ccccc34)n2)cc1.
What is the InChIKey of 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine?
The InChIKey is BYBVYBPNKHNUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O/c1-3-10-22(11-4-1)18-19-31-20-24-14-9-15-25(32-24)21-37-30-27-17-8-7-16-26(27)29-34-33-28(36(29)35-30)23-12-5-2-6-13-23/h1-17,31H,18-21H2.
What are the key properties of 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine?
2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine has a molecular weight of 486.58 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[6-[(3-phenyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 11213916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).