N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide

C10H10N4O2 — CID 135968921

IUPACN-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NO
InChIInChI=1S/C10H10N4O2/c1-7-9(10(15)13-16)12-14(11-7)8-5-3-2-4-6-8/h2-6,16H,1H3,(H,13,15)
InChIKeyAKBBXLALPOWBPH-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.69
Rot. Bonds2

About N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide

N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide (PubChem CID 135968921) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
PubChem CID135968921
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC NameN-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)nc1C(=O)NO
InChIInChI=1S/C10H10N4O2/c1-7-9(10(15)13-16)12-14(11-7)8-5-3-2-4-6-8/h2-6,16H,1H3,(H,13,15)
InChIKeyAKBBXLALPOWBPH-UHFFFAOYSA-N
XLogP0.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.69
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-5-methyl-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide (CID 135968921) is N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide is Cc1nn(-c2ccccc2)nc1C(=O)NO.
What is the InChIKey of N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide?
The InChIKey is AKBBXLALPOWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-9(10(15)13-16)12-14(11-7)8-5-3-2-4-6-8/h2-6,16H,1H3,(H,13,15).
What are the key properties of N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide?
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide has a molecular weight of 218.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 135968921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).