7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine

C12H11N5 — CID 126650041

IUPAC7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKeySGFFXIGIHATQNC-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.53
Rot. Bonds2

About 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine

7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126650041) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126650041
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(Cc2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKeySGFFXIGIHATQNC-UHFFFAOYSA-N
XLogP1.53
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine (CID 126650041) is 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(Cc2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is SGFFXIGIHATQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-10-7-9(6-8-4-2-1-3-5-8)11-12(14-10)16-17-15-11/h1-5,7H,6H2,(H3,13,14,15,16,17).
What are the key properties of 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine?
7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 225.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126650041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).