N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide

C13H16N4O2 — CID 112732846

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C13H16N4O2/c1-3-19-11-6-4-10(5-7-11)9(2)15-13(18)12-8-14-17-16-12/h4-9H,3H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyXLVVIYWPZUURLA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.69
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide

N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 112732846) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
PubChem CID112732846
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cn[nH]n2)cc1
InChIInChI=1S/C13H16N4O2/c1-3-19-11-6-4-10(5-7-11)9(2)15-13(18)12-8-14-17-16-12/h4-9H,3H2,1-2H3,(H,15,18)(H,14,16,17)
InChIKeyXLVVIYWPZUURLA-UHFFFAOYSA-N
XLogP1.69
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-ethylsulfanylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 95317065
N-[1-(4-sulfamoylphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732641
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334802
2-ethoxy-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 60706778
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2H-triazole-4-carboxamide
CID 95715538
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811
N-[1-(4-ethoxyphenyl)ethyl]-6-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 87051435
N-[1-(1,3-thiazol-2-yl)ethyl]-2H-triazole-4-carboxamide
CID 78945961

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide (CID 112732846) is N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide is CCOc1ccc(C(C)NC(=O)c2cn[nH]n2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is XLVVIYWPZUURLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-19-11-6-4-10(5-7-11)9(2)15-13(18)12-8-14-17-16-12/h4-9H,3H2,1-2H3,(H,15,18)(H,14,16,17).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide?
N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 112732846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).