2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide

C24H19N9O2 — CID 24541902

IUPAC2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cnn(-c2ccccc2)n1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19N9O2/c34-23(27-28-24(35)21-15-25-33(29-21)20-9-5-2-6-10-20)19-13-11-17(12-14-19)16-32-30-22(26-31-32)18-7-3-1-4-8-18/h1-15H,16H2,(H,27,34)(H,28,35)
InChIKeyQUPVUVQMMVRRBC-UHFFFAOYSA-N
MW465.48 g/mol
LogP2.04
Rot. Bonds6

About 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide

2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide (PubChem CID 24541902) has the molecular formula C24H19N9O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
PubChem CID24541902
Molecular FormulaC24H19N9O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cnn(-c2ccccc2)n1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H19N9O2/c34-23(27-28-24(35)21-15-25-33(29-21)20-9-5-2-6-10-20)19-13-11-17(12-14-19)16-32-30-22(26-31-32)18-7-3-1-4-8-18/h1-15H,16H2,(H,27,34)(H,28,35)
InChIKeyQUPVUVQMMVRRBC-UHFFFAOYSA-N
XLogP2.04
TPSA132.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide?
The IUPAC name of 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide (CID 24541902) is 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide.
What is the SMILES notation for 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide?
The canonical SMILES for 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide is O=C(NNC(=O)c1cnn(-c2ccccc2)n1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide?
The InChIKey is QUPVUVQMMVRRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N9O2/c34-23(27-28-24(35)21-15-25-33(29-21)20-9-5-2-6-10-20)19-13-11-17(12-14-19)16-32-30-22(26-31-32)18-7-3-1-4-8-18/h1-15H,16H2,(H,27,34)(H,28,35).
What are the key properties of 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide?
2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide has a molecular weight of 465.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]triazole-4-carbohydrazide is sourced from PubChem (CID 24541902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).