6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

C21H16N6O — CID 24851840

IUPAC6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCOc1cccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C21H16N6O/c1-28-17-6-2-4-16(11-17)19-12-23-20-21(24-19)27(26-25-20)13-14-7-8-18-15(10-14)5-3-9-22-18/h2-12H,13H2,1H3
InChIKeyZCBGNMQCGZQIEF-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.49
Rot. Bonds4

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

6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 24851840) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID24851840
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCOc1cccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C21H16N6O/c1-28-17-6-2-4-16(11-17)19-12-23-20-21(24-19)27(26-25-20)13-14-7-8-18-15(10-14)5-3-9-22-18/h2-12H,13H2,1H3
InChIKeyZCBGNMQCGZQIEF-UHFFFAOYSA-N
XLogP3.49
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 24851840) is 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is COc1cccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.
What is the InChIKey of 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is ZCBGNMQCGZQIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-28-17-6-2-4-16(11-17)19-12-23-20-21(24-19)27(26-25-20)13-14-7-8-18-15(10-14)5-3-9-22-18/h2-12H,13H2,1H3.
What are the key properties of 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 368.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 24851840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).