N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide

C20H21N5O5 — CID 55648326

IUPACN'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
SMILESCOc1cccc(-n2nnc(C(=O)NNC(=O)c3ccc(OC)c(OC)c3)c2C)c1
InChIInChI=1S/C20H21N5O5/c1-12-18(21-24-25(12)14-6-5-7-15(11-14)28-2)20(27)23-22-19(26)13-8-9-16(29-3)17(10-13)30-4/h5-11H,1-4H3,(H,22,26)(H,23,27)
InChIKeyZWJDQFRNJALKIC-UHFFFAOYSA-N
MW411.42 g/mol
LogP1.68
Rot. Bonds6

About N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide

N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide (PubChem CID 55648326) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
PubChem CID55648326
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC NameN'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide
SMILESCOc1cccc(-n2nnc(C(=O)NNC(=O)c3ccc(OC)c(OC)c3)c2C)c1
InChIInChI=1S/C20H21N5O5/c1-12-18(21-24-25(12)14-6-5-7-15(11-14)28-2)20(27)23-22-19(26)13-8-9-16(29-3)17(10-13)30-4/h5-11H,1-4H3,(H,22,26)(H,23,27)
InChIKeyZWJDQFRNJALKIC-UHFFFAOYSA-N
XLogP1.68
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide 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

ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
1-(3-methoxyphenyl)-5-methyl-N-[(2-phenylmethoxyphenyl)methyl]triazole-4-carboxamide
CID 55806463
diethyl 5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 55666296
1-(3-methoxyphenyl)-5-methyl-N-(3-phenoxyphenyl)triazole-4-carboxamide
CID 55667186
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
tert-butyl N-[2-methoxy-5-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]phenyl]carbamate
CID 55654521
1-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]ethanone
CID 39888524
N-(5-tert-butyl-1H-pyrazol-3-yl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55976309
1-(3-methoxyphenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]triazole-4-carboxamide
CID 35265921
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55725083
1-(3-methoxyphenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16648432
N-[2-(4-bromoanilino)-2-oxoethyl]-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 55878500

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide?
The IUPAC name of N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide (CID 55648326) is N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide.
What is the SMILES notation for N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide?
The canonical SMILES for N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide is COc1cccc(-n2nnc(C(=O)NNC(=O)c3ccc(OC)c(OC)c3)c2C)c1.
What is the InChIKey of N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide?
The InChIKey is ZWJDQFRNJALKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-12-18(21-24-25(12)14-6-5-7-15(11-14)28-2)20(27)23-22-19(26)13-8-9-16(29-3)17(10-13)30-4/h5-11H,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide?
N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide has a molecular weight of 411.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dimethoxybenzoyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carbohydrazide is sourced from PubChem (CID 55648326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).