5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine

C23H23N6OP — CID 163825865

IUPAC5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine
SMILESCC(C)(c1ccc2cccn2c1)n1nnc2ncc(-c3cccc(P(C)(C)=O)c3)nc21
InChIInChI=1S/C23H23N6OP/c1-23(2,17-10-11-18-8-6-12-28(18)15-17)29-22-21(26-27-29)24-14-20(25-22)16-7-5-9-19(13-16)31(3,4)30/h5-15H,1-4H3
InChIKeyRTSGCZQWSHRYGQ-UHFFFAOYSA-N
MW430.45 g/mol
LogP4.17
Rot. Bonds4

About 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine

5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine (PubChem CID 163825865) has the molecular formula C23H23N6OP and a molecular weight of 430.45 g/mol. Its IUPAC name is 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine
PubChem CID163825865
Molecular FormulaC23H23N6OP
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine
SMILESCC(C)(c1ccc2cccn2c1)n1nnc2ncc(-c3cccc(P(C)(C)=O)c3)nc21
InChIInChI=1S/C23H23N6OP/c1-23(2,17-10-11-18-8-6-12-28(18)15-17)29-22-21(26-27-29)24-14-20(25-22)16-7-5-9-19(13-16)31(3,4)30/h5-15H,1-4H3
InChIKeyRTSGCZQWSHRYGQ-UHFFFAOYSA-N
XLogP4.17
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine 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 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine?
The IUPAC name of 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine (CID 163825865) is 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine.
What is the SMILES notation for 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine?
The canonical SMILES for 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine is CC(C)(c1ccc2cccn2c1)n1nnc2ncc(-c3cccc(P(C)(C)=O)c3)nc21.
What is the InChIKey of 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine?
The InChIKey is RTSGCZQWSHRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N6OP/c1-23(2,17-10-11-18-8-6-12-28(18)15-17)29-22-21(26-27-29)24-14-20(25-22)16-7-5-9-19(13-16)31(3,4)30/h5-15H,1-4H3.
What are the key properties of 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine?
5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine has a molecular weight of 430.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-dimethylphosphorylphenyl)-3-(2-indolizin-6-ylpropan-2-yl)triazolo[4,5-b]pyrazine is sourced from PubChem (CID 163825865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).