2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide

C8H16N6O — CID 66277129

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1n[nH]c(N)n1
InChIInChI=1S/C8H16N6O/c1-4-14(5-6(15)13(2)3)8-10-7(9)11-12-8/h4-5H2,1-3H3,(H3,9,10,11,12)
InChIKeyLFPRBEKVEPJDEH-UHFFFAOYSA-N
MW212.26 g/mol
LogP-0.70
Rot. Bonds4

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 66277129) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID66277129
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1n[nH]c(N)n1
InChIInChI=1S/C8H16N6O/c1-4-14(5-6(15)13(2)3)8-10-7(9)11-12-8/h4-5H2,1-3H3,(H3,9,10,11,12)
InChIKeyLFPRBEKVEPJDEH-UHFFFAOYSA-N
XLogP-0.70
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,3-N-diethyl-1H-1,2,4-triazole-3,5-diamine
CID 14547509
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809834
3-N-ethyl-3-N-methyl-1H-1,2,4-triazole-3,5-diamine
CID 66277105
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-N,N-dimethylacetamide
CID 80780070
2-[(5-amino-3-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 104533388
2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide
CID 66276488
2-[(2-aminopyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80809739
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
CID 114047069
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-ethylamino]-N,N-dimethylacetamide
CID 80809651
2-[(5-amino-6-methoxy-2-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 43588124
2-[(8-amino-3-methylisoquinolin-5-yl)-ethylamino]-N,N-dimethylacetamide
CID 102713102
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide (CID 66277129) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1n[nH]c(N)n1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is LFPRBEKVEPJDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-4-14(5-6(15)13(2)3)8-10-7(9)11-12-8/h4-5H2,1-3H3,(H3,9,10,11,12).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 212.26 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 66277129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).