N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C15H10ClN5 — CID 22431320

IUPACN-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1cccc(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C15H10ClN5/c16-10-4-3-5-11(8-10)18-14-15-20-17-9-21(15)13-7-2-1-6-12(13)19-14/h1-9H,(H,18,19)
InChIKeyTVFNFVUBHFMCQX-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.67
Rot. Bonds2

About N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 22431320) has the molecular formula C15H10ClN5 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID22431320
Molecular FormulaC15H10ClN5
Molecular Weight295.73 g/mol
Exact Mass295.06
IUPAC NameN-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESClc1cccc(Nc2nc3ccccc3n3cnnc23)c1
InChIInChI=1S/C15H10ClN5/c16-10-4-3-5-11(8-10)18-14-15-20-17-9-21(15)13-7-2-1-6-12(13)19-14/h1-9H,(H,18,19)
InChIKeyTVFNFVUBHFMCQX-UHFFFAOYSA-N
XLogP3.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 22431320) is N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is Clc1cccc(Nc2nc3ccccc3n3cnnc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is TVFNFVUBHFMCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5/c16-10-4-3-5-11(8-10)18-14-15-20-17-9-21(15)13-7-2-1-6-12(13)19-14/h1-9H,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 295.73 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 22431320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).