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

C21H21N5 — CID 10854865

IUPACN-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine
SMILESc1ccc(-c2nc3ccccc3n3c(NC4CCCCC4)nnc23)cc1
InChIInChI=1S/C21H21N5/c1-3-9-15(10-4-1)19-20-24-25-21(22-16-11-5-2-6-12-16)26(20)18-14-8-7-13-17(18)23-19/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,25)
InChIKeyXWZLCYWXDDETGA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.69
Rot. Bonds3

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

N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine (PubChem CID 10854865) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine
PubChem CID10854865
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine
SMILESc1ccc(-c2nc3ccccc3n3c(NC4CCCCC4)nnc23)cc1
InChIInChI=1S/C21H21N5/c1-3-9-15(10-4-1)19-20-24-25-21(22-16-11-5-2-6-12-16)26(20)18-14-8-7-13-17(18)23-19/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,25)
InChIKeyXWZLCYWXDDETGA-UHFFFAOYSA-N
XLogP4.69
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine?
The IUPAC name of N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine (CID 10854865) is N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine.
What is the SMILES notation for N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine?
The canonical SMILES for N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine is c1ccc(-c2nc3ccccc3n3c(NC4CCCCC4)nnc23)cc1.
What is the InChIKey of N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine?
The InChIKey is XWZLCYWXDDETGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-3-9-15(10-4-1)19-20-24-25-21(22-16-11-5-2-6-12-16)26(20)18-14-8-7-13-17(18)23-19/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,25).
What are the key properties of N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine?
N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine has a molecular weight of 343.43 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-amine is sourced from PubChem (CID 10854865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).