4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide

C14H20N6O2 — CID 162654964

IUPAC4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
SMILESCC(C)(C)n1nnnc1CNCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C14H20N6O2/c1-14(2,3)20-12(16-18-19-20)9-15-8-10-4-6-11(7-5-10)13(21)17-22/h4-7,15,22H,8-9H2,1-3H3,(H,17,21)
InChIKeyKNBSOWGRBOSFQB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.84
Rot. Bonds5

About 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide

4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide (PubChem CID 162654964) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
PubChem CID162654964
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
SMILESCC(C)(C)n1nnnc1CNCc1ccc(C(=O)NO)cc1
InChIInChI=1S/C14H20N6O2/c1-14(2,3)20-12(16-18-19-20)9-15-8-10-4-6-11(7-5-10)13(21)17-22/h4-7,15,22H,8-9H2,1-3H3,(H,17,21)
InChIKeyKNBSOWGRBOSFQB-UHFFFAOYSA-N
XLogP0.84
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
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 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide (CID 162654964) is 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide is CC(C)(C)n1nnnc1CNCc1ccc(C(=O)NO)cc1.
What is the InChIKey of 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The InChIKey is KNBSOWGRBOSFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-14(2,3)20-12(16-18-19-20)9-15-8-10-4-6-11(7-5-10)13(21)17-22/h4-7,15,22H,8-9H2,1-3H3,(H,17,21).
What are the key properties of 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide has a molecular weight of 304.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-tert-butyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162654964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).