N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide

C15H12N6O2 — CID 866071

IUPACN'-benzoyl-3-(tetrazol-1-yl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1
InChIInChI=1S/C15H12N6O2/c22-14(11-5-2-1-3-6-11)17-18-15(23)12-7-4-8-13(9-12)21-10-16-19-20-21/h1-10H,(H,17,22)(H,18,23)
InChIKeyNQVXICJRAZKEDF-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.74
Rot. Bonds3

About N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide

N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide (PubChem CID 866071) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-(tetrazol-1-yl)benzohydrazide
PubChem CID866071
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC NameN'-benzoyl-3-(tetrazol-1-yl)benzohydrazide
SMILESO=C(NNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1
InChIInChI=1S/C15H12N6O2/c22-14(11-5-2-1-3-6-11)17-18-15(23)12-7-4-8-13(9-12)21-10-16-19-20-21/h1-10H,(H,17,22)(H,18,23)
InChIKeyNQVXICJRAZKEDF-UHFFFAOYSA-N
XLogP0.74
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide?
The IUPAC name of N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide (CID 866071) is N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide.
What is the SMILES notation for N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide?
The canonical SMILES for N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide is O=C(NNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1.
What is the InChIKey of N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide?
The InChIKey is NQVXICJRAZKEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c22-14(11-5-2-1-3-6-11)17-18-15(23)12-7-4-8-13(9-12)21-10-16-19-20-21/h1-10H,(H,17,22)(H,18,23).
What are the key properties of N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide?
N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide has a molecular weight of 308.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-(tetrazol-1-yl)benzohydrazide is sourced from PubChem (CID 866071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).