4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C21H21N5O — CID 10642208

IUPAC4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
InChIKeyJGLOHIDMAGTNKS-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.78
Rot. Bonds3

About 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10642208) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10642208
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23)
InChIKeyJGLOHIDMAGTNKS-UHFFFAOYSA-N
XLogP3.78
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10642208) is 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccccc2)nc2c(NC3CCCCC3)nc3ccccc3n12.
What is the InChIKey of 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is JGLOHIDMAGTNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-21-25-18-14-8-7-13-17(18)23-19(22-15-9-3-1-4-10-15)20(25)24-26(21)16-11-5-2-6-12-16/h2,5-8,11-15H,1,3-4,9-10H2,(H,22,23).
What are the key properties of 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 359.43 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10642208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).