4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol

C15H16N8O3 — CID 135688455

IUPAC4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N=C(C)c2nnn(-c3nonc3N)c2C)ccc1O
InChIInChI=1S/C15H16N8O3/c1-8(18-17-7-10-4-5-11(24)12(6-10)25-3)13-9(2)23(22-19-13)15-14(16)20-26-21-15/h4-7,24H,1-3H3,(H2,16,20)/b17-7+,18-8?
InChIKeyPDCGBHGFIODKMY-XXNMAHGMSA-N
MW356.35 g/mol
LogP1.10
Rot. Bonds5

About 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol

4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135688455) has the molecular formula C15H16N8O3 and a molecular weight of 356.35 g/mol. Its IUPAC name is 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135688455
Molecular FormulaC15H16N8O3
Molecular Weight356.35 g/mol
Exact Mass356.13
IUPAC Name4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/N=C(C)c2nnn(-c3nonc3N)c2C)ccc1O
InChIInChI=1S/C15H16N8O3/c1-8(18-17-7-10-4-5-11(24)12(6-10)25-3)13-9(2)23(22-19-13)15-14(16)20-26-21-15/h4-7,24H,1-3H3,(H2,16,20)/b17-7+,18-8?
InChIKeyPDCGBHGFIODKMY-XXNMAHGMSA-N
XLogP1.10
TPSA149.83 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[N-[(3-fluorophenyl)methylideneamino]-C-methylcarbonimidoyl]-5-methyltriazol-1-yl]-1,2,5-oxadiazol-3-amine
CID 691740
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-5-methyltriazole-4-carboxamide
CID 135684040
4-[(Z)-N-[(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136861420
2-[(E)-[(Z)-1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-6-prop-2-enylphenol
CID 135832808
4-[4-[N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-C-methylcarbonimidoyl]-5-methyltriazol-1-yl]-1,2,5-oxadiazol-3-amine
CID 3583986
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]triazole-4-carboxamide
CID 135484318
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-5-methyltriazole-4-carboxamide
CID 6889201
4-amino-N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 136859038
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]triazole-4-carboxamide
CID 136820440
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(4-hydroxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 2261119
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
CID 6891854

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol (CID 135688455) is 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N/N=C(C)c2nnn(-c3nonc3N)c2C)ccc1O.
What is the InChIKey of 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is PDCGBHGFIODKMY-XXNMAHGMSA-N. The full InChI is InChI=1S/C15H16N8O3/c1-8(18-17-7-10-4-5-11(24)12(6-10)25-3)13-9(2)23(22-19-13)15-14(16)20-26-21-15/h4-7,24H,1-3H3,(H2,16,20)/b17-7+,18-8?.
What are the key properties of 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol?
4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 356.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyltriazol-4-yl]ethylidenehydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135688455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).