N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide

C7H12N4O2 — CID 112733912

IUPACN-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C7H12N4O2/c1-11(3-4-13-2)7(12)6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyHDBAFXZFAGGDPY-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.48
Rot. Bonds4

About N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide

N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide (PubChem CID 112733912) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
PubChem CID112733912
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
SMILESCOCCN(C)C(=O)c1cn[nH]n1
InChIInChI=1S/C7H12N4O2/c1-11(3-4-13-2)7(12)6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyHDBAFXZFAGGDPY-UHFFFAOYSA-N
XLogP-0.48
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 47335197
N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
CID 112733352
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2H-triazole-4-carboxamide
CID 112732793
N-methyl-N-(2-methylsulfanylethyl)-2H-triazole-4-carboxamide
CID 112698098
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N-(2-amino-2-oxoethyl)-N-methyl-2H-triazole-4-carboxamide
CID 78968249
2-[2-[methyl(2H-triazole-4-carbonyl)amino]ethyl]benzoic acid
CID 104547013
N-(2-bromopropyl)-N-methyl-2H-triazole-4-carboxamide
CID 80665711
N-methyl-N-(2-thiophen-2-ylethyl)-2H-triazole-4-carboxamide
CID 79036798
5-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 63866551
N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
CID 102978833
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide (CID 112733912) is N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide is COCCN(C)C(=O)c1cn[nH]n1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide?
The InChIKey is HDBAFXZFAGGDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-11(3-4-13-2)7(12)6-5-8-10-9-6/h5H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide?
N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).