[4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate

C14H16N6O5 — CID 6851471

IUPAC[4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
SMILESCOc1cc(/C=N\N=C(N)c2nonc2N)cc(OC)c1OC(C)=O
InChIInChI=1S/C14H16N6O5/c1-7(21)24-12-9(22-2)4-8(5-10(12)23-3)6-17-18-13(15)11-14(16)20-25-19-11/h4-6H,1-3H3,(H2,15,18)(H2,16,20)/b17-6-
InChIKeyZNDNWIWXFOOLQM-FMQZQXMHSA-N
MW348.32 g/mol
LogP0.33
Rot. Bonds6

About [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate

[4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate (PubChem CID 6851471) has the molecular formula C14H16N6O5 and a molecular weight of 348.32 g/mol. Its IUPAC name is [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
PubChem CID6851471
Molecular FormulaC14H16N6O5
Molecular Weight348.32 g/mol
Exact Mass348.12
IUPAC Name[4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
SMILESCOc1cc(/C=N\N=C(N)c2nonc2N)cc(OC)c1OC(C)=O
InChIInChI=1S/C14H16N6O5/c1-7(21)24-12-9(22-2)4-8(5-10(12)23-3)6-17-18-13(15)11-14(16)20-25-19-11/h4-6H,1-3H3,(H2,15,18)(H2,16,20)/b17-6-
InChIKeyZNDNWIWXFOOLQM-FMQZQXMHSA-N
XLogP0.33
TPSA160.44 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate 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-amino-N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 44662339
4-amino-N'-[(Z)-(4-bromo-2,5-dimethoxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 40542746
[4-[(E)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2-methoxyphenyl] 2-methyl-3-nitrobenzoate
CID 131666004
4-amino-N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 136859038
4-amino-N'-[[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 3379903
4-amino-N'-[(4-hydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 2841390
4-amino-N'-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 46500092
4-amino-N'-[(3,4-dihydroxyphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 135601214
4-amino-N'-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 11836695
4-amino-N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 6850962
4-amino-N'-[(4-fluorophenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 4068250
4-amino-N'-[(4-ethylphenyl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 43834602

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate?
The IUPAC name of [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate (CID 6851471) is [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate.
What is the SMILES notation for [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate?
The canonical SMILES for [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate is COc1cc(/C=N\N=C(N)c2nonc2N)cc(OC)c1OC(C)=O.
What is the InChIKey of [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate?
The InChIKey is ZNDNWIWXFOOLQM-FMQZQXMHSA-N. The full InChI is InChI=1S/C14H16N6O5/c1-7(21)24-12-9(22-2)4-8(5-10(12)23-3)6-17-18-13(15)11-14(16)20-25-19-11/h4-6H,1-3H3,(H2,15,18)(H2,16,20)/b17-6-.
What are the key properties of [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate?
[4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate has a molecular weight of 348.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate is sourced from PubChem (CID 6851471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).