2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol

C20H19N7O3 — CID 135541569

IUPAC2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(C=NNc2nc3nonc3nc2Nc2cccc(C)c2C)c1O
InChIInChI=1S/C20H19N7O3/c1-11-6-4-8-14(12(11)2)22-17-18(24-20-19(23-17)26-30-27-20)25-21-10-13-7-5-9-15(29-3)16(13)28/h4-10,28H,1-3H3,(H,22,23,26)(H,24,25,27)
InChIKeyYEEODDIYIYFAKA-UHFFFAOYSA-N
MW405.42 g/mol
LogP3.53
Rot. Bonds6

About 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol

2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135541569) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135541569
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC Name2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(C=NNc2nc3nonc3nc2Nc2cccc(C)c2C)c1O
InChIInChI=1S/C20H19N7O3/c1-11-6-4-8-14(12(11)2)22-17-18(24-20-19(23-17)26-30-27-20)25-21-10-13-7-5-9-15(29-3)16(13)28/h4-10,28H,1-3H3,(H,22,23,26)(H,24,25,27)
InChIKeyYEEODDIYIYFAKA-UHFFFAOYSA-N
XLogP3.53
TPSA130.58 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-(2-methylphenyl)-5-N-[[2-(trifluoromethyl)phenyl]methylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3099893
4-bromo-2-[(E)-[[6-(2-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]phenol
CID 135479776
5-N-[(E)-(4-bromophenyl)methylideneamino]-6-N-(2-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 6871945
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
5-N-[(5-bromo-2-methoxyphenyl)methylideneamino]-6-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 85032938
2-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 3785592
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
2-[[[6-(4-fluoroanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-nitrophenol
CID 3099787
1-(2,3-dimethylphenyl)-3-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]thiourea
CID 2382768
2-methoxy-6-[(Z)-[(6-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenol
CID 136732755
2-methoxy-6-[(E)-[(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135613728
N-[[2-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]methylideneamino]-2,3-dimethylaniline
CID 4601155

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol (CID 135541569) is 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(C=NNc2nc3nonc3nc2Nc2cccc(C)c2C)c1O.
What is the InChIKey of 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is YEEODDIYIYFAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-11-6-4-8-14(12(11)2)22-17-18(24-20-19(23-17)26-30-27-20)25-21-10-13-7-5-9-15(29-3)16(13)28/h4-10,28H,1-3H3,(H,22,23,26)(H,24,25,27).
What are the key properties of 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol?
2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 405.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-(2,3-dimethylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135541569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).