3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide

C16H15N7O5 — CID 135637234

IUPAC3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide
SMILESCNC(=O)c1ncn2c(=O)c(C(=O)N/N=C/c3ccc(O)c(OC)c3)n[nH]c12
InChIInChI=1S/C16H15N7O5/c1-17-14(25)11-13-21-20-12(16(27)23(13)7-18-11)15(26)22-19-6-8-3-4-9(24)10(5-8)28-2/h3-7,21,24H,1-2H3,(H,17,25)(H,22,26)/b19-6+
InChIKeyZXXNUPLYFATRNH-KPSZGOFPSA-N
MW385.34 g/mol
LogP-0.74
Rot. Bonds5

About 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide

3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide (PubChem CID 135637234) has the molecular formula C16H15N7O5 and a molecular weight of 385.34 g/mol. Its IUPAC name is 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide
PubChem CID135637234
Molecular FormulaC16H15N7O5
Molecular Weight385.34 g/mol
Exact Mass385.11
IUPAC Name3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide
SMILESCNC(=O)c1ncn2c(=O)c(C(=O)N/N=C/c3ccc(O)c(OC)c3)n[nH]c12
InChIInChI=1S/C16H15N7O5/c1-17-14(25)11-13-21-20-12(16(27)23(13)7-18-11)15(26)22-19-6-8-3-4-9(24)10(5-8)28-2/h3-7,21,24H,1-2H3,(H,17,25)(H,22,26)/b19-6+
InChIKeyZXXNUPLYFATRNH-KPSZGOFPSA-N
XLogP-0.74
TPSA163.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide 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

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 135594504
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 135521451
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 136661272
5-tert-butyl-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 135514234
1,3-bis[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135458974
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135777345
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]acetamide
CID 136503640
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
2-chloro-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136749460
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135491260
5-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760842

Frequently Asked Questions

What is the IUPAC name of 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide?
The IUPAC name of 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide (CID 135637234) is 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide is CNC(=O)c1ncn2c(=O)c(C(=O)N/N=C/c3ccc(O)c(OC)c3)n[nH]c12.
What is the InChIKey of 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide?
The InChIKey is ZXXNUPLYFATRNH-KPSZGOFPSA-N. The full InChI is InChI=1S/C16H15N7O5/c1-17-14(25)11-13-21-20-12(16(27)23(13)7-18-11)15(26)22-19-6-8-3-4-9(24)10(5-8)28-2/h3-7,21,24H,1-2H3,(H,17,25)(H,22,26)/b19-6+.
What are the key properties of 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide?
3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide has a molecular weight of 385.34 g/mol, XLogP of -0.74, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-8-N-methyl-4-oxo-1H-imidazo[5,1-c][1,2,4]triazine-3,8-dicarboxamide is sourced from PubChem (CID 135637234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).