N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide

C10H10N4O2 — CID 171351026

IUPACN-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C10H10N4O2/c15-10(13-16)9-3-1-8(2-4-9)5-14-7-11-6-12-14/h1-4,6-7,16H,5H2,(H,13,15)
InChIKeyXMKZYHJMXTXHDZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.45
Rot. Bonds3

About N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 171351026) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID171351026
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC NameN-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C10H10N4O2/c15-10(13-16)9-3-1-8(2-4-9)5-14-7-11-6-12-14/h1-4,6-7,16H,5H2,(H,13,15)
InChIKeyXMKZYHJMXTXHDZ-UHFFFAOYSA-N
XLogP0.45
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 171351026) is N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(NO)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is XMKZYHJMXTXHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(13-16)9-3-1-8(2-4-9)5-14-7-11-6-12-14/h1-4,6-7,16H,5H2,(H,13,15).
What are the key properties of N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 218.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 171351026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).