7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C17H12N8 — CID 110455128

IUPAC7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccc(Nc2nc3cc(-n4nnc5ccccc54)ccn3n2)nc1
InChIInChI=1S/C17H12N8/c1-2-6-14-13(5-1)21-23-25(14)12-8-10-24-16(11-12)20-17(22-24)19-15-7-3-4-9-18-15/h1-11H,(H,18,19,22)
InChIKeyGTZHIOSURWYOEH-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.60
Rot. Bonds3

About 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 110455128) has the molecular formula C17H12N8 and a molecular weight of 328.34 g/mol. Its IUPAC name is 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID110455128
Molecular FormulaC17H12N8
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESc1ccc(Nc2nc3cc(-n4nnc5ccccc54)ccn3n2)nc1
InChIInChI=1S/C17H12N8/c1-2-6-14-13(5-1)21-23-25(14)12-8-10-24-16(11-12)20-17(22-24)19-15-7-3-4-9-18-15/h1-11H,(H,18,19,22)
InChIKeyGTZHIOSURWYOEH-UHFFFAOYSA-N
XLogP2.60
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 110455128) is 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is c1ccc(Nc2nc3cc(-n4nnc5ccccc54)ccn3n2)nc1.
What is the InChIKey of 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GTZHIOSURWYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8/c1-2-6-14-13(5-1)21-23-25(14)12-8-10-24-16(11-12)20-17(22-24)19-15-7-3-4-9-18-15/h1-11H,(H,18,19,22).
What are the key properties of 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 328.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzotriazol-1-yl)-N-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 110455128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).