4-(tetrazol-1-yl)benzohydrazide

C8H8N6O — CID 2114009

IUPAC4-(tetrazol-1-yl)benzohydrazide
SMILESNNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C8H8N6O/c9-11-8(15)6-1-3-7(4-2-6)14-5-10-12-13-14/h1-5H,9H2,(H,11,15)
InChIKeyDCSLVGSOXWLBCY-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.73
Rot. Bonds2

About 4-(tetrazol-1-yl)benzohydrazide

4-(tetrazol-1-yl)benzohydrazide (PubChem CID 2114009) has the molecular formula C8H8N6O and a molecular weight of 204.19 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)benzohydrazide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)benzohydrazide
PubChem CID2114009
Molecular FormulaC8H8N6O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name4-(tetrazol-1-yl)benzohydrazide
SMILESNNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C8H8N6O/c9-11-8(15)6-1-3-7(4-2-6)14-5-10-12-13-14/h1-5H,9H2,(H,11,15)
InChIKeyDCSLVGSOXWLBCY-UHFFFAOYSA-N
XLogP-0.73
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 120505639
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119607738
2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 66172388
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)benzohydrazide?
The IUPAC name of 4-(tetrazol-1-yl)benzohydrazide (CID 2114009) is 4-(tetrazol-1-yl)benzohydrazide.
What is the SMILES notation for 4-(tetrazol-1-yl)benzohydrazide?
The canonical SMILES for 4-(tetrazol-1-yl)benzohydrazide is NNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)benzohydrazide?
The InChIKey is DCSLVGSOXWLBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O/c9-11-8(15)6-1-3-7(4-2-6)14-5-10-12-13-14/h1-5H,9H2,(H,11,15).
What are the key properties of 4-(tetrazol-1-yl)benzohydrazide?
4-(tetrazol-1-yl)benzohydrazide has a molecular weight of 204.19 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)benzohydrazide is sourced from PubChem (CID 2114009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).