5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine

C11H8BrN5 — CID 103099001

IUPAC5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(-c2ccnc3ccccc23)n1
InChIInChI=1S/C11H8BrN5/c12-10-15-11(13)16-17(10)9-5-6-14-8-4-2-1-3-7(8)9/h1-6H,(H2,13,16)
InChIKeyAULZXFMXIRFDHG-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.16
Rot. Bonds1

About 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine

5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine (PubChem CID 103099001) has the molecular formula C11H8BrN5 and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine
PubChem CID103099001
Molecular FormulaC11H8BrN5
Molecular Weight290.12 g/mol
Exact Mass289.00
IUPAC Name5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine
SMILESNc1nc(Br)n(-c2ccnc3ccccc23)n1
InChIInChI=1S/C11H8BrN5/c12-10-15-11(13)16-17(10)9-5-6-14-8-4-2-1-3-7(8)9/h1-6H,(H2,13,16)
InChIKeyAULZXFMXIRFDHG-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine (CID 103099001) is 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine is Nc1nc(Br)n(-c2ccnc3ccccc23)n1.
What is the InChIKey of 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine?
The InChIKey is AULZXFMXIRFDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5/c12-10-15-11(13)16-17(10)9-5-6-14-8-4-2-1-3-7(8)9/h1-6H,(H2,13,16).
What are the key properties of 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine?
5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine has a molecular weight of 290.12 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-quinolin-4-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 103099001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).