2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide

C23H20N6O2 — CID 9468304

IUPAC2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N6O2/c30-20(16-29-27-22(25-28-29)19-14-8-3-9-15-19)24-26-23(31)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,24,30)(H,26,31)
InChIKeyBGRFRCNCIBQEKM-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.32
Rot. Bonds6

About 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide

2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide (PubChem CID 9468304) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
PubChem CID9468304
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
SMILESO=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20N6O2/c30-20(16-29-27-22(25-28-29)19-14-8-3-9-15-19)24-26-23(31)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,24,30)(H,26,31)
InChIKeyBGRFRCNCIBQEKM-UHFFFAOYSA-N
XLogP2.32
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.32
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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Related Compounds

3-phenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]propanehydrazide
CID 9468283
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 4846196
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
N-[(1R)-1-phenylethyl]-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589016
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide?
The IUPAC name of 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide (CID 9468304) is 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide?
The canonical SMILES for 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide is O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide?
The InChIKey is BGRFRCNCIBQEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c30-20(16-29-27-22(25-28-29)19-14-8-3-9-15-19)24-26-23(31)21(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,24,30)(H,26,31).
What are the key properties of 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide?
2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide has a molecular weight of 412.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide is sourced from PubChem (CID 9468304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).