8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

C17H14BrN5 — CID 156537203

IUPAC8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCCN(c1ccccc1)c1nc2nncn2c2cc(Br)ccc12
InChIInChI=1S/C17H14BrN5/c1-2-22(13-6-4-3-5-7-13)16-14-9-8-12(18)10-15(14)23-11-19-21-17(23)20-16/h3-11H,2H2,1H3
InChIKeyJIUGYOPMAVHXHW-UHFFFAOYSA-N
MW368.24 g/mol
LogP4.20
Rot. Bonds3

About 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine

8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (PubChem CID 156537203) has the molecular formula C17H14BrN5 and a molecular weight of 368.24 g/mol. Its IUPAC name is 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.

Molecular Properties

Compound Name8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
PubChem CID156537203
Molecular FormulaC17H14BrN5
Molecular Weight368.24 g/mol
Exact Mass367.04
IUPAC Name8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
SMILESCCN(c1ccccc1)c1nc2nncn2c2cc(Br)ccc12
InChIInChI=1S/C17H14BrN5/c1-2-22(13-6-4-3-5-7-13)16-14-9-8-12(18)10-15(14)23-11-19-21-17(23)20-16/h3-11H,2H2,1H3
InChIKeyJIUGYOPMAVHXHW-UHFFFAOYSA-N
XLogP4.20
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The IUPAC name of 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine (CID 156537203) is 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine.
What is the SMILES notation for 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The canonical SMILES for 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is CCN(c1ccccc1)c1nc2nncn2c2cc(Br)ccc12.
What is the InChIKey of 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
The InChIKey is JIUGYOPMAVHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5/c1-2-22(13-6-4-3-5-7-13)16-14-9-8-12(18)10-15(14)23-11-19-21-17(23)20-16/h3-11H,2H2,1H3.
What are the key properties of 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine?
8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine has a molecular weight of 368.24 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine is sourced from PubChem (CID 156537203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).