4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide

C15H14N6O2 — CID 135357638

IUPAC4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
SMILESNc1ccc(-c2nnn(Cc3ccc(C(=O)NO)cc3)n2)cc1
InChIInChI=1S/C15H14N6O2/c16-13-7-5-11(6-8-13)14-17-20-21(18-14)9-10-1-3-12(4-2-10)15(22)19-23/h1-8,23H,9,16H2,(H,19,22)
InChIKeyWXNCLPGZPAFVKD-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.09
Rot. Bonds4

About 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide

4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide (PubChem CID 135357638) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
PubChem CID135357638
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
SMILESNc1ccc(-c2nnn(Cc3ccc(C(=O)NO)cc3)n2)cc1
InChIInChI=1S/C15H14N6O2/c16-13-7-5-11(6-8-13)14-17-20-21(18-14)9-10-1-3-12(4-2-10)15(22)19-23/h1-8,23H,9,16H2,(H,19,22)
InChIKeyWXNCLPGZPAFVKD-UHFFFAOYSA-N
XLogP1.09
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 1463675
4-[[5-(1-benzothiophen-3-yl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135358774
4-[[5-(1-benzothiophen-2-yl)tetrazol-2-yl]methyl]-N-hydroxybenzamide
CID 135357475
4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-hydroxybenzamide;methyl 4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]benzoate
CID 160736159
5-bromo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]pyridine-3-carbohydrazide
CID 27709879
N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]naphthalene-2-carbohydrazide
CID 24541843
6-oxo-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]-1H-pyridine-3-carbohydrazide
CID 24541890
N-[(Z)-(4-methylphenyl)methylideneamino]-4-[(5-phenyltetrazol-2-yl)methyl]benzamide
CID 7933033
2,3-dichloro-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541848
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
3-(dimethylamino)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541850
3-(methoxymethyl)-N'-[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]benzohydrazide
CID 24541935

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide (CID 135357638) is 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide is Nc1ccc(-c2nnn(Cc3ccc(C(=O)NO)cc3)n2)cc1.
What is the InChIKey of 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide?
The InChIKey is WXNCLPGZPAFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c16-13-7-5-11(6-8-13)14-17-20-21(18-14)9-10-1-3-12(4-2-10)15(22)19-23/h1-8,23H,9,16H2,(H,19,22).
What are the key properties of 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide?
4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide has a molecular weight of 310.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 135357638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).