N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide

C16H14N6O2 — CID 855977

IUPACN'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H14N6O2/c23-14(17-19-16(24)13-9-5-2-6-10-13)11-22-20-15(18-21-22)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,23)(H,19,24)
InChIKeyNKTTYKSLSNVBPO-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.80
Rot. Bonds4

About N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide

N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide (PubChem CID 855977) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
PubChem CID855977
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC NameN'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccccc1
InChIInChI=1S/C16H14N6O2/c23-14(17-19-16(24)13-9-5-2-6-10-13)11-22-20-15(18-21-22)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,23)(H,19,24)
InChIKeyNKTTYKSLSNVBPO-UHFFFAOYSA-N
XLogP0.80
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide (CID 855977) is N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide is O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide?
The InChIKey is NKTTYKSLSNVBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c23-14(17-19-16(24)13-9-5-2-6-10-13)11-22-20-15(18-21-22)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,23)(H,19,24).
What are the key properties of N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide?
N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide has a molecular weight of 322.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide is sourced from PubChem (CID 855977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).