2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol

C17H14N4O2 — CID 135520266

IUPAC2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol
SMILESCOc1cc(-c2nnc3c(C)nc4ccccc4n23)ccc1O
InChIInChI=1S/C17H14N4O2/c1-10-16-19-20-17(11-7-8-14(22)15(9-11)23-2)21(16)13-6-4-3-5-12(13)18-10/h3-9,22H,1-2H3
InChIKeyNYWYKHJMUVPSJE-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.97
Rot. Bonds2

About 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol

2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol (PubChem CID 135520266) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol.

Molecular Properties

Compound Name2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol
PubChem CID135520266
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol
SMILESCOc1cc(-c2nnc3c(C)nc4ccccc4n23)ccc1O
InChIInChI=1S/C17H14N4O2/c1-10-16-19-20-17(11-7-8-14(22)15(9-11)23-2)21(16)13-6-4-3-5-12(13)18-10/h3-9,22H,1-2H3
InChIKeyNYWYKHJMUVPSJE-UHFFFAOYSA-N
XLogP2.97
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)aniline
CID 82167307
1-(4-methoxyphenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 11580142
1-(4-fluorophenyl)-4-methoxy-[1,2,4]triazolo[4,3-a]quinoxaline
CID 171987938
4-[3-(4-hydroxy-3-methoxyphenyl)benzo[g]quinoxalin-2-yl]-2-methoxyphenol
CID 1309066
(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methanamine
CID 82167293
7-fluoro-1-(2-methoxyphenyl)-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 46199931
2-methoxy-4-(7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)phenol
CID 135924344
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
9-methoxy-4-methyl-1-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 71295521
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol?
The IUPAC name of 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol (CID 135520266) is 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol.
What is the SMILES notation for 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol?
The canonical SMILES for 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol is COc1cc(-c2nnc3c(C)nc4ccccc4n23)ccc1O.
What is the InChIKey of 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol?
The InChIKey is NYWYKHJMUVPSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-10-16-19-20-17(11-7-8-14(22)15(9-11)23-2)21(16)13-6-4-3-5-12(13)18-10/h3-9,22H,1-2H3.
What are the key properties of 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol?
2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol has a molecular weight of 306.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)phenol is sourced from PubChem (CID 135520266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).