4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C22H18N6O — CID 10317753

IUPAC4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESNc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12
InChIInChI=1S/C22H18N6O/c23-20-21-26-28(16-10-5-2-6-11-16)22(29)27(21)18-13-7-12-17(19(18)25-20)24-14-15-8-3-1-4-9-15/h1-13,24H,14H2,(H2,23,25)
InChIKeyWTPLIJMXPIILJW-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.23
Rot. Bonds4

About 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10317753) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10317753
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESNc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12
InChIInChI=1S/C22H18N6O/c23-20-21-26-28(16-10-5-2-6-11-16)22(29)27(21)18-13-7-12-17(19(18)25-20)24-14-15-8-3-1-4-9-15/h1-13,24H,14H2,(H2,23,25)
InChIKeyWTPLIJMXPIILJW-UHFFFAOYSA-N
XLogP3.23
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(4-amino-1-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl)amino]-2-oxo-1-phenylethyl] acetate
CID 11155585
1-phenyl-3-N-[(4-phenylmethoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 1287956
3-N-benzyl-6-bromopyridine-2,3-diamine
CID 121384108
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169748
4-amino-2-benzyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939210
4-(benzylamino)-1-phenyl-3H-indol-2-one
CID 102082479
2-[3-amino-4-(benzylamino)pyrazol-1-yl]ethanol
CID 121012987
1-N-benzyl-2-N-[2-(benzylamino)phenyl]benzene-1,2-diamine
CID 59193671
4-amino-2-benzyl-8-methoxy-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
CID 52939090
N-[4-(8-amino-3-oxo-2-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-6-yl)phenyl]prop-2-enamide
CID 155521694
1,4,5,8-tetrakis(benzylamino)anthracene-9,10-dione
CID 154150456
1-phenyl-6-[[3-(1,2,4-triazol-1-yl)phenyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 138989665

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10317753) is 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is Nc1nc2c(NCc3ccccc3)cccc2n2c(=O)n(-c3ccccc3)nc12.
What is the InChIKey of 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is WTPLIJMXPIILJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O/c23-20-21-26-28(16-10-5-2-6-11-16)22(29)27(21)18-13-7-12-17(19(18)25-20)24-14-15-8-3-1-4-9-15/h1-13,24H,14H2,(H2,23,25).
What are the key properties of 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 382.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(benzylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10317753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).