6-(benzotriazol-1-yl)pyridin-3-amine

C11H9N5 — CID 29082003

IUPAC6-(benzotriazol-1-yl)pyridin-3-amine
SMILESNc1ccc(-n2nnc3ccccc32)nc1
InChIInChI=1S/C11H9N5/c12-8-5-6-11(13-7-8)16-10-4-2-1-3-9(10)14-15-16/h1-7H,12H2
InChIKeyCCXDPHXXUFCXLX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.40
Rot. Bonds1

About 6-(benzotriazol-1-yl)pyridin-3-amine

6-(benzotriazol-1-yl)pyridin-3-amine (PubChem CID 29082003) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 6-(benzotriazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(benzotriazol-1-yl)pyridin-3-amine
PubChem CID29082003
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name6-(benzotriazol-1-yl)pyridin-3-amine
SMILESNc1ccc(-n2nnc3ccccc32)nc1
InChIInChI=1S/C11H9N5/c12-8-5-6-11(13-7-8)16-10-4-2-1-3-9(10)14-15-16/h1-7H,12H2
InChIKeyCCXDPHXXUFCXLX-UHFFFAOYSA-N
XLogP1.40
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(benzotriazol-1-yl)pyridin-3-amine?
The IUPAC name of 6-(benzotriazol-1-yl)pyridin-3-amine (CID 29082003) is 6-(benzotriazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-(benzotriazol-1-yl)pyridin-3-amine?
The canonical SMILES for 6-(benzotriazol-1-yl)pyridin-3-amine is Nc1ccc(-n2nnc3ccccc32)nc1.
What is the InChIKey of 6-(benzotriazol-1-yl)pyridin-3-amine?
The InChIKey is CCXDPHXXUFCXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-8-5-6-11(13-7-8)16-10-4-2-1-3-9(10)14-15-16/h1-7H,12H2.
What are the key properties of 6-(benzotriazol-1-yl)pyridin-3-amine?
6-(benzotriazol-1-yl)pyridin-3-amine has a molecular weight of 211.23 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzotriazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 29082003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).