3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline

C26H18N6 — CID 86566655

IUPAC3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
SMILESc1ccc(-c2cnc3ccc(Cn4nnc5ncc(-c6ccccc6)nc54)cc3c2)cc1
InChIInChI=1S/C26H18N6/c1-3-7-19(8-4-1)22-14-21-13-18(11-12-23(21)27-15-22)17-32-26-25(30-31-32)28-16-24(29-26)20-9-5-2-6-10-20/h1-16H,17H2
InChIKeyDGHKLJMJEUSMSA-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.15
Rot. Bonds4

About 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline

3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline (PubChem CID 86566655) has the molecular formula C26H18N6 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
PubChem CID86566655
Molecular FormulaC26H18N6
Molecular Weight414.47 g/mol
Exact Mass414.16
IUPAC Name3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
SMILESc1ccc(-c2cnc3ccc(Cn4nnc5ncc(-c6ccccc6)nc54)cc3c2)cc1
InChIInChI=1S/C26H18N6/c1-3-7-19(8-4-1)22-14-21-13-18(11-12-23(21)27-15-22)17-32-26-25(30-31-32)28-16-24(29-26)20-9-5-2-6-10-20/h1-16H,17H2
InChIKeyDGHKLJMJEUSMSA-UHFFFAOYSA-N
XLogP5.15
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-fluoro-4-[3-[[3-(3-fluorophenyl)quinolin-6-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]benzoate
CID 141370367
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
6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline
CID 59341841
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
CID 67455909
7-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 163677939
methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
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]ethylidenehydrazine
CID 78153634

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The IUPAC name of 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline (CID 86566655) is 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline.
What is the SMILES notation for 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The canonical SMILES for 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline is c1ccc(-c2cnc3ccc(Cn4nnc5ncc(-c6ccccc6)nc54)cc3c2)cc1.
What is the InChIKey of 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline?
The InChIKey is DGHKLJMJEUSMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6/c1-3-7-19(8-4-1)22-14-21-13-18(11-12-23(21)27-15-22)17-32-26-25(30-31-32)28-16-24(29-26)20-9-5-2-6-10-20/h1-16H,17H2.
What are the key properties of 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline?
3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline has a molecular weight of 414.47 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline is sourced from PubChem (CID 86566655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).