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

C17H18N6O2 — CID 162652849

IUPAC4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNCc2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C17H18N6O2/c24-17(20-25)15-8-6-13(7-9-15)10-18-11-16-19-21-22-23(16)12-14-4-2-1-3-5-14/h1-9,18,25H,10-12H2,(H,20,24)
InChIKeyFVEJLNXIGDQJLD-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.13
Rot. Bonds7

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

4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide (PubChem CID 162652849) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
PubChem CID162652849
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CNCc2nnnn2Cc2ccccc2)cc1
InChIInChI=1S/C17H18N6O2/c24-17(20-25)15-8-6-13(7-9-15)10-18-11-16-19-21-22-23(16)12-14-4-2-1-3-5-14/h1-9,18,25H,10-12H2,(H,20,24)
InChIKeyFVEJLNXIGDQJLD-UHFFFAOYSA-N
XLogP1.13
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.13
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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Related Compounds

4-[[(1-benzyltetrazol-5-yl)methyl-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
CID 162660527
4-[(5-benzyltetrazol-1-yl)methyl]benzoic acid
CID 82226211
1-[4-[(5-benzyltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone
CID 161071002
1-benzyltetrazole-5-carboxamide
CID 122714819
N-[[1-[(3-methylphenyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 62737831
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 24520234
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
(1S)-N'-[(1-benzyltetrazol-5-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 94177727
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
4-[[(1-benzylpyrazol-4-yl)methylamino]methyl]benzamide
CID 86809283
4,7-bis[(1-benzyltetrazol-5-yl)methyl]-1,4,7-triazonane-1-carbaldehyde
CID 53310713

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide (CID 162652849) is 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CNCc2nnnn2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
The InChIKey is FVEJLNXIGDQJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c24-17(20-25)15-8-6-13(7-9-15)10-18-11-16-19-21-22-23(16)12-14-4-2-1-3-5-14/h1-9,18,25H,10-12H2,(H,20,24).
What are the key properties of 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide?
4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide has a molecular weight of 338.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-benzyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 162652849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).