4-(2H-tetrazol-5-yl)benzohydrazide

C8H8N6O — CID 43091169

IUPAC4-(2H-tetrazol-5-yl)benzohydrazide
SMILESNNC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)
InChIKeyCCKNKILAFRZWPA-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.53
Rot. Bonds2

About 4-(2H-tetrazol-5-yl)benzohydrazide

4-(2H-tetrazol-5-yl)benzohydrazide (PubChem CID 43091169) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)benzohydrazide.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)benzohydrazide
PubChem CID43091169
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name4-(2H-tetrazol-5-yl)benzohydrazide
SMILESNNC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)
InChIKeyCCKNKILAFRZWPA-UHFFFAOYSA-N
XLogP-0.53
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2H-tetrazol-5-yl)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

N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193
2-methyl-2-[[4-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 61261161
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-(2H-tetrazol-5-yl)benzamide
CID 103933543
N-cyclohexyl-4-(2H-tetrazol-5-yl)benzamide
CID 23541044
N-[1-(hydroxymethyl)cyclobutyl]-4-(2H-tetrazol-5-yl)benzamide
CID 115878235
N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
CID 106385274
N-[(1S,3R)-3-aminocyclopentyl]-4-[4-(2H-tetrazol-5-yl)phenyl]benzamide;hydrochloride
CID 154905256
N-(2-methoxyphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 23541019
N-(2-bromo-4-iodophenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 155194195
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487562

Frequently Asked Questions

What is the IUPAC name of 4-(2H-tetrazol-5-yl)benzohydrazide?
The IUPAC name of 4-(2H-tetrazol-5-yl)benzohydrazide (CID 43091169) is 4-(2H-tetrazol-5-yl)benzohydrazide.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)benzohydrazide?
The canonical SMILES for 4-(2H-tetrazol-5-yl)benzohydrazide is NNC(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)benzohydrazide?
The InChIKey is CCKNKILAFRZWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14).
What are the key properties of 4-(2H-tetrazol-5-yl)benzohydrazide?
4-(2H-tetrazol-5-yl)benzohydrazide has a molecular weight of 204.19 g/mol, XLogP of -0.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)benzohydrazide is sourced from PubChem (CID 43091169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).