N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C10H10N4O2 — CID 155514031

IUPACN-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(Cc2ncn[nH]2)cc1
InChIInChI=1S/C10H10N4O2/c15-10(14-16)8-3-1-7(2-4-8)5-9-11-6-12-13-9/h1-4,6,16H,5H2,(H,14,15)(H,11,12,13)
InChIKeyLAZDRBDEOWORSZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.51
Rot. Bonds3

About N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide

N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 155514031) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound NameN-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID155514031
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC NameN-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESO=C(NO)c1ccc(Cc2ncn[nH]2)cc1
InChIInChI=1S/C10H10N4O2/c15-10(14-16)8-3-1-7(2-4-8)5-9-11-6-12-13-9/h1-4,6,16H,5H2,(H,14,15)(H,11,12,13)
InChIKeyLAZDRBDEOWORSZ-UHFFFAOYSA-N
XLogP0.51
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 155514031) is N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide is O=C(NO)c1ccc(Cc2ncn[nH]2)cc1.
What is the InChIKey of N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is LAZDRBDEOWORSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-10(14-16)8-3-1-7(2-4-8)5-9-11-6-12-13-9/h1-4,6,16H,5H2,(H,14,15)(H,11,12,13).
What are the key properties of N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 218.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 155514031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).