7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

C22H19N6OP — CID 163677939

IUPAC7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5cccnc5c4)c3n2)c1
InChIInChI=1S/C22H19N6OP/c1-30(2,29)18-7-3-5-17(12-18)20-13-24-21-22(25-20)28(27-26-21)14-15-8-9-16-6-4-10-23-19(16)11-15/h3-13H,14H2,1-2H3
InChIKeyQIAZYYMCSOERQR-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.73
Rot. Bonds4

About 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 163677939) has the molecular formula C22H19N6OP and a molecular weight of 414.41 g/mol. Its IUPAC name is 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID163677939
Molecular FormulaC22H19N6OP
Molecular Weight414.41 g/mol
Exact Mass414.14
IUPAC Name7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5cccnc5c4)c3n2)c1
InChIInChI=1S/C22H19N6OP/c1-30(2,29)18-7-3-5-17(12-18)20-13-24-21-22(25-20)28(27-26-21)14-15-8-9-16-6-4-10-23-19(16)11-15/h3-13H,14H2,1-2H3
InChIKeyQIAZYYMCSOERQR-UHFFFAOYSA-N
XLogP3.73
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24852078
methyl 2-[methyl-[4-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]phenyl]phosphoryl]oxyacetate
CID 175621530
methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079
3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 86566655
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
CID 59341867
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868
N-[4-[bis(ethylamino)phosphoryl]-2-fluorophenyl]-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
CID 175621557
3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 163499522
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
CID 67455909

Frequently Asked Questions

What is the IUPAC name of 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 163677939) is 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5cccnc5c4)c3n2)c1.
What is the InChIKey of 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is QIAZYYMCSOERQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N6OP/c1-30(2,29)18-7-3-5-17(12-18)20-13-24-21-22(25-20)28(27-26-21)14-15-8-9-16-6-4-10-23-19(16)11-15/h3-13H,14H2,1-2H3.
What are the key properties of 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 414.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 163677939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).