N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide

C11H12N4O2 — CID 78969850

IUPACN-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cn[nH]n1
InChIInChI=1S/C11H12N4O2/c16-9-3-1-8(2-4-9)5-6-12-11(17)10-7-13-15-14-10/h1-4,7,16H,5-6H2,(H,12,17)(H,13,14,15)
InChIKeyVCPVQSXRHTVBNS-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.48
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 78969850) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
PubChem CID78969850
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1cn[nH]n1
InChIInChI=1S/C11H12N4O2/c16-9-3-1-8(2-4-9)5-6-12-11(17)10-7-13-15-14-10/h1-4,7,16H,5-6H2,(H,12,17)(H,13,14,15)
InChIKeyVCPVQSXRHTVBNS-UHFFFAOYSA-N
XLogP0.48
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2H-triazole-4-carboxamide
CID 54219715
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
N-[2-(1,3-thiazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 78954440
N-[2-(4-hydroxyphenyl)ethyl]-5-(methylamino)pyridine-2-carboxamide
CID 104640447
3-[2-(4-hydroxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 39310617
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
N-(4-chlorobutyl)-2H-triazole-4-carboxamide
CID 106845435
N-[2-(4-hydroxyphenyl)ethyl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 91901970
N-[2-(4-hydroxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 61017782
N-(2-chloroprop-2-enyl)-2H-triazole-4-carboxamide
CID 115636783
N-[(E)-pent-3-enyl]-2H-triazole-4-carboxamide
CID 115628382
N-(3-formamidopropyl)-2H-triazole-4-carboxamide
CID 110475421

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide (CID 78969850) is N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide is O=C(NCCc1ccc(O)cc1)c1cn[nH]n1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is VCPVQSXRHTVBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-9-3-1-8(2-4-9)5-6-12-11(17)10-7-13-15-14-10/h1-4,7,16H,5-6H2,(H,12,17)(H,13,14,15).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 78969850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).