N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide

C12H14N4O2 — CID 47361062

IUPACN-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H14N4O2/c1-2-18-8-9-5-3-4-6-10(9)14-12(17)11-7-13-16-15-11/h3-7H,2,8H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyAOOMAGCKRBSQOS-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide

N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide (PubChem CID 47361062) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
PubChem CID47361062
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide
SMILESCCOCc1ccccc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H14N4O2/c1-2-18-8-9-5-3-4-6-10(9)14-12(17)11-7-13-16-15-11/h3-7H,2,8H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyAOOMAGCKRBSQOS-UHFFFAOYSA-N
XLogP1.59
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2H-triazole-4-carbonylamino)benzoate
CID 78969246
N-(2-acetylphenyl)-2H-triazole-4-carboxamide
CID 78969669
N-[2-(dimethylcarbamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969673
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
4-chloro-N-[2-(ethoxymethyl)phenyl]-6-methylpyridine-3-carboxamide
CID 81227998
N-(4-bromo-2-ethylphenyl)-2H-triazole-4-carboxamide
CID 81003417
4-amino-N-[2-(ethoxymethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62685947
N-[2-(ethoxymethyl)phenyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86821917
N-[2-(trifluoromethoxy)phenyl]-2H-triazole-4-carboxamide
CID 47355443
N-[2-(ethoxymethyl)phenyl]-3,4-dimethylbenzamide
CID 86821684
3-(chloromethyl)-N-[2-(ethoxymethyl)phenyl]benzamide
CID 43695560
N-[2-(ethoxymethyl)phenyl]-2-methoxypropanamide
CID 112686280

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide (CID 47361062) is N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide is CCOCc1ccccc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide?
The InChIKey is AOOMAGCKRBSQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-2-18-8-9-5-3-4-6-10(9)14-12(17)11-7-13-16-15-11/h3-7H,2,8H2,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide?
N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)phenyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47361062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).