6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline

C19H13N5S — CID 54760085

IUPAC6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
SMILESc1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C19H13N5S/c1-3-14-11-13(5-6-15(14)20-9-1)12-24-19-17(22-23-24)8-7-16(21-19)18-4-2-10-25-18/h1-11H,12H2
InChIKeyVCZUDJUAXCDIRL-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.15
Rot. Bonds3

About 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline

6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline (PubChem CID 54760085) has the molecular formula C19H13N5S and a molecular weight of 343.42 g/mol. Its IUPAC name is 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
PubChem CID54760085
Molecular FormulaC19H13N5S
Molecular Weight343.42 g/mol
Exact Mass343.09
IUPAC Name6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
SMILESc1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C19H13N5S/c1-3-14-11-13(5-6-15(14)20-9-1)12-24-19-17(22-23-24)8-7-16(21-19)18-4-2-10-25-18/h1-11H,12H2
InChIKeyVCZUDJUAXCDIRL-UHFFFAOYSA-N
XLogP4.15
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514864
6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514910
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514686
6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514805
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridine-5-carboxamide
CID 151275107
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
6-[[5-[3-(methylsulfonylmethyl)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 149255111
2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoic acid
CID 66994823
6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514954
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-ol
CID 53262064

Frequently Asked Questions

What is the IUPAC name of 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline?
The IUPAC name of 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline (CID 54760085) is 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline is c1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.
What is the InChIKey of 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline?
The InChIKey is VCZUDJUAXCDIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5S/c1-3-14-11-13(5-6-15(14)20-9-1)12-24-19-17(22-23-24)8-7-16(21-19)18-4-2-10-25-18/h1-11H,12H2.
What are the key properties of 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline?
6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline has a molecular weight of 343.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline is sourced from PubChem (CID 54760085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).