3-(2H-tetrazol-1-ium-5-yl)benzohydrazide

C8H9N6O+ — CID 137332074

IUPAC3-(2H-tetrazol-1-ium-5-yl)benzohydrazide
SMILESNNC(=O)c1cccc(-c2nn[nH][nH+]2)c1
InChIInChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
InChIKeyTVSYEZIXGSKLBM-UHFFFAOYSA-O
MW205.20 g/mol
LogP-1.11
Rot. Bonds2

About 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide

3-(2H-tetrazol-1-ium-5-yl)benzohydrazide (PubChem CID 137332074) has the molecular formula C8H9N6O+ and a molecular weight of 205.20 g/mol. Its IUPAC name is 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide.

Molecular Properties

Compound Name3-(2H-tetrazol-1-ium-5-yl)benzohydrazide
PubChem CID137332074
Molecular FormulaC8H9N6O+
Molecular Weight205.20 g/mol
Exact Mass205.08
IUPAC Name3-(2H-tetrazol-1-ium-5-yl)benzohydrazide
SMILESNNC(=O)c1cccc(-c2nn[nH][nH+]2)c1
InChIInChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
InChIKeyTVSYEZIXGSKLBM-UHFFFAOYSA-O
XLogP-1.11
TPSA110.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide?
The IUPAC name of 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide (CID 137332074) is 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide.
What is the SMILES notation for 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide?
The canonical SMILES for 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide is NNC(=O)c1cccc(-c2nn[nH][nH+]2)c1.
What is the InChIKey of 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide?
The InChIKey is TVSYEZIXGSKLBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1.
What are the key properties of 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide?
3-(2H-tetrazol-1-ium-5-yl)benzohydrazide has a molecular weight of 205.20 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-1-ium-5-yl)benzohydrazide is sourced from PubChem (CID 137332074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).