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

C26H20N6O2 — CID 24541843

IUPACN'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H20N6O2/c33-25(28-29-26(34)23-15-14-19-6-4-5-9-22(19)16-23)21-12-10-18(11-13-21)17-32-30-24(27-31-32)20-7-2-1-3-8-20/h1-16H,17H2,(H,28,33)(H,29,34)
InChIKeyPDPPTBZUPHAZEL-UHFFFAOYSA-N
MW448.49 g/mol
LogP3.62
Rot. Bonds5

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

N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide (PubChem CID 24541843) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
PubChem CID24541843
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC NameN'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C26H20N6O2/c33-25(28-29-26(34)23-15-14-19-6-4-5-9-22(19)16-23)21-12-10-18(11-13-21)17-32-30-24(27-31-32)20-7-2-1-3-8-20/h1-16H,17H2,(H,28,33)(H,29,34)
InChIKeyPDPPTBZUPHAZEL-UHFFFAOYSA-N
XLogP3.62
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 53.62
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'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide?
The IUPAC name of N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide (CID 24541843) is N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide?
The canonical SMILES for N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide is O=C(NNC(=O)c1ccc2ccccc2c1)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide?
The InChIKey is PDPPTBZUPHAZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c33-25(28-29-26(34)23-15-14-19-6-4-5-9-22(19)16-23)21-12-10-18(11-13-21)17-32-30-24(27-31-32)20-7-2-1-3-8-20/h1-16H,17H2,(H,28,33)(H,29,34).
What are the key properties of N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide?
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide has a molecular weight of 448.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide is sourced from PubChem (CID 24541843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).