4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine

C16H14N6O — CID 15990168

IUPAC4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine
SMILESCOc1ccc(Nc2nc3ccccc3n3c(N)nnc23)cc1
InChIInChI=1S/C16H14N6O/c1-23-11-8-6-10(7-9-11)18-14-15-20-21-16(17)22(15)13-5-3-2-4-12(13)19-14/h2-9H,1H3,(H2,17,21)(H,18,19)
InChIKeyRHIPSOVULGYEPI-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.61
Rot. Bonds3

About 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine

4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine (PubChem CID 15990168) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine
PubChem CID15990168
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine
SMILESCOc1ccc(Nc2nc3ccccc3n3c(N)nnc23)cc1
InChIInChI=1S/C16H14N6O/c1-23-11-8-6-10(7-9-11)18-14-15-20-21-16(17)22(15)13-5-3-2-4-12(13)19-14/h2-9H,1H3,(H2,17,21)(H,18,19)
InChIKeyRHIPSOVULGYEPI-UHFFFAOYSA-N
XLogP2.61
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-Fluoro-5-methoxyphenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46200734
trans-N-[3-(4-methoxy-phenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]-cyclohexane-1,4-diamine
CID 90389602
N-(2,5-dimethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295765
2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 667675
1-Methyl-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxaline
CID 1415680
N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71595131
1-(4-Methoxyphenyl)-1H-benzimidazol-2-amine
CID 43148821
(4-Methoxy-phenyl)-(1-methyl-1H-benzoimidazol-2-ylmethyl)-amine
CID 797033
N-(3-methoxybenzyl)-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6619246
N-(4-ethoxyphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 16193877
1-Methyl-4-(4-methylphenoxy)[1,2,4]triazolo[4,3-a]quinoxaline
CID 660063
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)quinoxalin-2-amine
CID 914394

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine (CID 15990168) is 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine is COc1ccc(Nc2nc3ccccc3n3c(N)nnc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine?
The InChIKey is RHIPSOVULGYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-23-11-8-6-10(7-9-11)18-14-15-20-21-16(17)22(15)13-5-3-2-4-12(13)19-14/h2-9H,1H3,(H2,17,21)(H,18,19).
What are the key properties of 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine?
4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine has a molecular weight of 306.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-diamine is sourced from PubChem (CID 15990168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).