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

C8H14N4O2 — CID 112733352

IUPACN-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
SMILESCCN(CCOC)C(=O)c1cn[nH]n1
InChIInChI=1S/C8H14N4O2/c1-3-12(4-5-14-2)8(13)7-6-9-11-10-7/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyJFCAZAPHSSRNSV-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.09
Rot. Bonds5

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

N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide (PubChem CID 112733352) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
PubChem CID112733352
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide
SMILESCCN(CCOC)C(=O)c1cn[nH]n1
InChIInChI=1S/C8H14N4O2/c1-3-12(4-5-14-2)8(13)7-6-9-11-10-7/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyJFCAZAPHSSRNSV-UHFFFAOYSA-N
XLogP-0.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-2H-triazole-4-carboxamide
CID 112733912
3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
CID 63283146
N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
CID 102978833
N,N-dihexyl-2H-triazole-4-carboxamide
CID 112733489
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016
N-ethyl-N-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61447670
2-amino-N-ethyl-N-(2-methoxyethyl)-6-methylpyrimidine-4-carboxamide
CID 114220314
1-(azetidin-3-yl)-N-ethyl-N-(2-methoxyethyl)triazole-4-carboxamide
CID 79315991
N-ethyl-N-(2-methoxyethyl)-4-(methylamino)pyridine-2-carboxamide
CID 62176077
N-[3-(diethylamino)-3-oxopropyl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 42783341
N-[(3,4-difluorophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 112733333
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylpyrazole-3-carboxamide
CID 103122847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide (CID 112733352) is N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide is CCN(CCOC)C(=O)c1cn[nH]n1.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide?
The InChIKey is JFCAZAPHSSRNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-12(4-5-14-2)8(13)7-6-9-11-10-7/h6H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide?
N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 112733352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).