3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide

C19H20N6O4 — CID 30879445

IUPAC3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OCC
InChIInChI=1S/C19H20N6O4/c1-3-28-16-10-7-14(11-17(16)29-4-2)19(27)22-21-18(26)13-5-8-15(9-6-13)25-12-20-23-24-25/h5-12H,3-4H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyJQZSQPMGMYQCSF-UHFFFAOYSA-N
MW396.41 g/mol
LogP1.53
Rot. Bonds7

About 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide

3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide (PubChem CID 30879445) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
PubChem CID30879445
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC Name3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OCC
InChIInChI=1S/C19H20N6O4/c1-3-28-16-10-7-14(11-17(16)29-4-2)19(27)22-21-18(26)13-5-8-15(9-6-13)25-12-20-23-24-25/h5-12H,3-4H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyJQZSQPMGMYQCSF-UHFFFAOYSA-N
XLogP1.53
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide 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-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
[4-(tetrazol-1-yl)phenyl] 4-(difluoromethoxy)-3-ethoxybenzoate
CID 29438607
3-bromo-4-ethoxy-5-methoxy-N'-[3-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 4850329
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
CID 32651524
2-methyl-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30878039
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-[(4-ethoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 4850354

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The IUPAC name of 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide (CID 30879445) is 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide.
What is the SMILES notation for 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The canonical SMILES for 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
The InChIKey is JQZSQPMGMYQCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-3-28-16-10-7-14(11-17(16)29-4-2)19(27)22-21-18(26)13-5-8-15(9-6-13)25-12-20-23-24-25/h5-12H,3-4H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide?
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide has a molecular weight of 396.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide is sourced from PubChem (CID 30879445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).