2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide

C12H22N4O — CID 71974205

IUPAC2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
SMILESCCc1nc(CC)n(CC(=O)N(CC)CC)n1
InChIInChI=1S/C12H22N4O/c1-5-10-13-11(6-2)16(14-10)9-12(17)15(7-3)8-4/h5-9H2,1-4H3
InChIKeyRKOWQYNQYZSHTF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.27
Rot. Bonds6

About 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide

2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide (PubChem CID 71974205) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
PubChem CID71974205
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
SMILESCCc1nc(CC)n(CC(=O)N(CC)CC)n1
InChIInChI=1S/C12H22N4O/c1-5-10-13-11(6-2)16(14-10)9-12(17)15(7-3)8-4/h5-9H2,1-4H3
InChIKeyRKOWQYNQYZSHTF-UHFFFAOYSA-N
XLogP1.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 53567422
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71974203
2-(4-methyl-1,4-diazepan-1-yl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 91792781
N~2~-acetyl-N~1~-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]glycinamide
CID 118796223
(2S)-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N,N-dimethylbutanamide
CID 129620296
2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-cyclopropyl-N-(2-methylpropyl)acetamide
CID 132308630
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 71980989
2-[3-(difluoromethyl)-1,2,4-triazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 100760872
2-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112049380
4-[[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methyl]-3,3-dimethyl-1-propylpiperazin-2-one
CID 132385108
2-(3-tert-butyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 132386949
2-(3,5-dicyclopropyl-1,2,4-triazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 132970846

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide (CID 71974205) is 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide is CCc1nc(CC)n(CC(=O)N(CC)CC)n1.
What is the InChIKey of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
The InChIKey is RKOWQYNQYZSHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-13-11(6-2)16(14-10)9-12(17)15(7-3)8-4/h5-9H2,1-4H3.
What are the key properties of 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide?
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 71974205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).