N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C15H11N5 — CID 1473320

IUPACN-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESc1ccc(Nc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C15H11N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h1-10H,(H,17,18)
InChIKeySVRXZMPDBNOCBH-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.02
Rot. Bonds2

About N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 1473320) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID1473320
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC NameN-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESc1ccc(Nc2nc3ccccc3n3cnnc23)cc1
InChIInChI=1S/C15H11N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h1-10H,(H,17,18)
InChIKeySVRXZMPDBNOCBH-UHFFFAOYSA-N
XLogP3.02
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 1473320) is N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is c1ccc(Nc2nc3ccccc3n3cnnc23)cc1.
What is the InChIKey of N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is SVRXZMPDBNOCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-2-6-11(7-3-1)17-14-15-19-16-10-20(15)13-9-5-4-8-12(13)18-14/h1-10H,(H,17,18).
What are the key properties of N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 261.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 1473320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).