2-(benzotriazol-1-yl)ethanamine

C8H10N4 — CID 12605338

IUPAC2-(benzotriazol-1-yl)ethanamine
SMILESNCCn1nnc2ccccc21
InChIInChI=1S/C8H10N4/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,5-6,9H2
InChIKeyQDGNXLMOTQABAF-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.39
Rot. Bonds2

About 2-(benzotriazol-1-yl)ethanamine

2-(benzotriazol-1-yl)ethanamine (PubChem CID 12605338) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)ethanamine
PubChem CID12605338
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-(benzotriazol-1-yl)ethanamine
SMILESNCCn1nnc2ccccc21
InChIInChI=1S/C8H10N4/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,5-6,9H2
InChIKeyQDGNXLMOTQABAF-UHFFFAOYSA-N
XLogP0.39
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)ethanamine?
The IUPAC name of 2-(benzotriazol-1-yl)ethanamine (CID 12605338) is 2-(benzotriazol-1-yl)ethanamine.
What is the SMILES notation for 2-(benzotriazol-1-yl)ethanamine?
The canonical SMILES for 2-(benzotriazol-1-yl)ethanamine is NCCn1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)ethanamine?
The InChIKey is QDGNXLMOTQABAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,5-6,9H2.
What are the key properties of 2-(benzotriazol-1-yl)ethanamine?
2-(benzotriazol-1-yl)ethanamine has a molecular weight of 162.20 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)ethanamine is sourced from PubChem (CID 12605338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).