1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine

C11H12N6 — CID 91649177

IUPAC1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2ncc(Cn3ccnn3)cc12
InChIInChI=1S/C11H12N6/c1-8-10-5-9(7-17-4-3-13-15-17)6-12-11(10)16(2)14-8/h3-6H,7H2,1-2H3
InChIKeyRYKRKVKHKQPXGT-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.92
Rot. Bonds2

About 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine

1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine (PubChem CID 91649177) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine
PubChem CID91649177
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2ncc(Cn3ccnn3)cc12
InChIInChI=1S/C11H12N6/c1-8-10-5-9(7-17-4-3-13-15-17)6-12-11(10)16(2)14-8/h3-6H,7H2,1-2H3
InChIKeyRYKRKVKHKQPXGT-UHFFFAOYSA-N
XLogP0.92
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine (CID 91649177) is 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine is Cc1nn(C)c2ncc(Cn3ccnn3)cc12.
What is the InChIKey of 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is RYKRKVKHKQPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-8-10-5-9(7-17-4-3-13-15-17)6-12-11(10)16(2)14-8/h3-6H,7H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine?
1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 228.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(triazol-1-ylmethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 91649177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).