N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide

C9H8N4O2 — CID 755004

IUPACN-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1ncn[nH]1
InChIInChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)12-9(15)8-10-5-11-13-8/h1-5,14H,(H,12,15)(H,10,11,13)
InChIKeyIYQUDUSTBMGBEP-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.76
Rot. Bonds2

About N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 755004) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID755004
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC NameN-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccccc1O)c1ncn[nH]1
InChIInChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)12-9(15)8-10-5-11-13-8/h1-5,14H,(H,12,15)(H,10,11,13)
InChIKeyIYQUDUSTBMGBEP-UHFFFAOYSA-N
XLogP0.76
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 604403
N-(2-chlorophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 804912
N-(2-ethylphenyl)-1H-1,2,4-triazole-5-carboxamide;hydrochloride
CID 117071392
N-[2-(ethylaminomethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 63654524
N-[2-(2-methoxyethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 102907600
N-(2-hydroxy-5-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 103894307
N-[2-(2-aminoethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 107000026
5-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652944
N-(2,4-diiodophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 71960344
N-(2-phenylquinolin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 56857585
5-iodo-2-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652241
3-fluoro-4-(1H-1,2,4-triazole-5-carbonylamino)benzoic acid
CID 63652950

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 755004) is N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccccc1O)c1ncn[nH]1.
What is the InChIKey of N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is IYQUDUSTBMGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)12-9(15)8-10-5-11-13-8/h1-5,14H,(H,12,15)(H,10,11,13).
What are the key properties of N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 204.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 755004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).