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

C12H14N4O2 — CID 47334802

IUPACN-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H14N4O2/c1-8(9-5-3-4-6-11(9)18-2)14-12(17)10-7-13-16-15-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyINRSFJRUVLRYFL-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.30
Rot. Bonds4

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

N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 47334802) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
PubChem CID47334802
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide
SMILESCOc1ccccc1C(C)NC(=O)c1cn[nH]n1
InChIInChI=1S/C12H14N4O2/c1-8(9-5-3-4-6-11(9)18-2)14-12(17)10-7-13-16-15-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyINRSFJRUVLRYFL-UHFFFAOYSA-N
XLogP1.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-naphthalen-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732639
N-[1-(2-methoxyphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 42886245
N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732846
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
N-(2-propan-2-yloxyphenyl)-2H-triazole-4-carboxamide
CID 47370046
1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 43071731
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
N-[1-(3-fluorophenyl)ethyl]-2H-triazole-4-carboxamide
CID 47334811
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide (CID 47334802) is N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide is COc1ccccc1C(C)NC(=O)c1cn[nH]n1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is INRSFJRUVLRYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(9-5-3-4-6-11(9)18-2)14-12(17)10-7-13-16-15-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 47334802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).