N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide

C10H10N4O2 — CID 136716966

IUPACN-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(O)cc2)nn1
InChIInChI=1S/C10H10N4O2/c1-14-6-9(12-13-14)10(16)11-7-2-4-8(15)5-3-7/h2-6,15H,1H3,(H,11,16)
InChIKeyRJMBSEPOYXVDJI-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.77
Rot. Bonds2

About N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide

N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide (PubChem CID 136716966) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
PubChem CID136716966
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC NameN-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(O)cc2)nn1
InChIInChI=1S/C10H10N4O2/c1-14-6-9(12-13-14)10(16)11-7-2-4-8(15)5-3-7/h2-6,15H,1H3,(H,11,16)
InChIKeyRJMBSEPOYXVDJI-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-1-methyltriazole-4-carboxamide
CID 110439460
2-[4-[(1-methyltriazole-4-carbonyl)amino]phenyl]acetic acid
CID 110461928
N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
CID 136716967
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581
1-methyl-N-[4-(2-methylpropoxy)phenyl]triazole-4-carboxamide
CID 110439456
N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 110471590
1-methyl-N-(1-methylbenzimidazol-2-yl)triazole-4-carboxamide
CID 110471540
1-methyl-N-(3-methylsulfonylphenyl)triazole-4-carboxamide
CID 110461981
1-methyl-N-(3-pyrimidin-5-ylphenyl)triazole-4-carboxamide
CID 110461980
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
CID 45497225
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide (CID 136716966) is N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(O)cc2)nn1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide?
The InChIKey is RJMBSEPOYXVDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-14-6-9(12-13-14)10(16)11-7-2-4-8(15)5-3-7/h2-6,15H,1H3,(H,11,16).
What are the key properties of N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide?
N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide has a molecular weight of 218.22 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 136716966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).