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

C13H11N7O2 — CID 135357654

IUPACN-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ncccn3)n2)cc1
InChIInChI=1S/C13H11N7O2/c21-13(18-22)10-4-2-9(3-5-10)8-20-17-12(16-19-20)11-14-6-1-7-15-11/h1-7,22H,8H2,(H,18,21)
InChIKeyPMHARNDBRDSPAO-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.30
Rot. Bonds4

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

N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide (PubChem CID 135357654) has the molecular formula C13H11N7O2 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide
PubChem CID135357654
Molecular FormulaC13H11N7O2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC NameN-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide
SMILESO=C(NO)c1ccc(Cn2nnc(-c3ncccn3)n2)cc1
InChIInChI=1S/C13H11N7O2/c21-13(18-22)10-4-2-9(3-5-10)8-20-17-12(16-19-20)11-14-6-1-7-15-11/h1-7,22H,8H2,(H,18,21)
InChIKeyPMHARNDBRDSPAO-UHFFFAOYSA-N
XLogP0.30
TPSA118.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide (CID 135357654) is N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide is O=C(NO)c1ccc(Cn2nnc(-c3ncccn3)n2)cc1.
What is the InChIKey of N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide?
The InChIKey is PMHARNDBRDSPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N7O2/c21-13(18-22)10-4-2-9(3-5-10)8-20-17-12(16-19-20)11-14-6-1-7-15-11/h1-7,22H,8H2,(H,18,21).
What are the key properties of N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide?
N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide has a molecular weight of 297.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]benzamide is sourced from PubChem (CID 135357654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).