N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide

C14H12N6O2 — CID 135357495

IUPACN-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C14H12N6O2/c21-14(18-22)11-6-4-10(5-7-11)9-20-17-13(16-19-20)12-3-1-2-8-15-12/h1-8,22H,9H2,(H,18,21)
InChIKeyHLDUGYNYLHPROD-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.90
Rot. Bonds4

About N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide

N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide (PubChem CID 135357495) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
PubChem CID135357495
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC NameN-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ccccn3)n2)cc1
InChIInChI=1S/C14H12N6O2/c21-14(18-22)11-6-4-10(5-7-11)9-20-17-13(16-19-20)12-3-1-2-8-15-12/h1-8,22H,9H2,(H,18,21)
InChIKeyHLDUGYNYLHPROD-UHFFFAOYSA-N
XLogP0.90
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide (CID 135357495) is N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2nnc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide?
The InChIKey is HLDUGYNYLHPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c21-14(18-22)11-6-4-10(5-7-11)9-20-17-13(16-19-20)12-3-1-2-8-15-12/h1-8,22H,9H2,(H,18,21).
What are the key properties of N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide?
N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide has a molecular weight of 296.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-pyridin-2-yltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 135357495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).