2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide

C10H19N5O2 — CID 63698397

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide
SMILESCCOCCN(CC)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H19N5O2/c1-3-14(5-6-17-4-2)9(16)7-15-8-12-10(11)13-15/h8H,3-7H2,1-2H3,(H2,11,13)
InChIKeyXVYSGQRAFNBPEG-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.25
Rot. Bonds7

About 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide (PubChem CID 63698397) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide
PubChem CID63698397
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide
SMILESCCOCCN(CC)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H19N5O2/c1-3-14(5-6-17-4-2)9(16)7-15-8-12-10(11)13-15/h8H,3-7H2,1-2H3,(H2,11,13)
InChIKeyXVYSGQRAFNBPEG-UHFFFAOYSA-N
XLogP-0.25
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-1,2,4-triazol-3-amine
CID 60911319
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-methoxypropyl)-N-methylacetamide
CID 62984459
2-(3-amino-1,2,4-triazol-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 61116990
2-(4-aminophenoxy)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 63696448
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-hydroxyethyl)-N-pentan-3-ylacetamide
CID 54994700
2-(3-amino-1,2,4-triazol-1-yl)-N-cyclopentyl-N-methylacetamide
CID 61016829
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-3-carboxamide
CID 63690796
[2-(dimethylamino)-2-oxoethyl] 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61316451
methyl 4-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-methylamino]butanoate
CID 61107923
6-amino-N-(2-ethoxyethyl)-N-ethylpyridine-2-carboxamide
CID 63691666
2-(3-aminopyrazol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62102871
2-(3-amino-1,2,4-triazol-1-yl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 61109512

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide (CID 63698397) is 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide is CCOCCN(CC)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide?
The InChIKey is XVYSGQRAFNBPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-3-14(5-6-17-4-2)9(16)7-15-8-12-10(11)13-15/h8H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide has a molecular weight of 241.29 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-(2-ethoxyethyl)-N-ethylacetamide is sourced from PubChem (CID 63698397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).