4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione

C10H14N6O3 — CID 66069435

IUPAC4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H14N6O3/c1-2-6-9(19)13-7(17)3-16(6)8(18)4-15-5-12-10(11)14-15/h5-6H,2-4H2,1H3,(H2,11,14)(H,13,17,19)
InChIKeyFLUAKQGZRJPHFI-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.88
Rot. Bonds3

About 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione

4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66069435) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione
PubChem CID66069435
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)Cn1cnc(N)n1
InChIInChI=1S/C10H14N6O3/c1-2-6-9(19)13-7(17)3-16(6)8(18)4-15-5-12-10(11)14-15/h5-6H,2-4H2,1H3,(H2,11,14)(H,13,17,19)
InChIKeyFLUAKQGZRJPHFI-UHFFFAOYSA-N
XLogP-1.88
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione with MolForge

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Related Compounds

3-ethyl-4-[2-(tetrazol-1-yl)acetyl]piperazine-2,6-dione
CID 66069080
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
1-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66288109
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 79854148
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-3-ethylpiperazine-2,6-dione
CID 66067221
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-methylpiperazin-2-one
CID 63594537
3-ethyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973136
4-[2-(3-aminophenyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067315
4-[3-(2-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 66067254

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione (CID 66069435) is 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)Cn1cnc(N)n1.
What is the InChIKey of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is FLUAKQGZRJPHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-2-6-9(19)13-7(17)3-16(6)8(18)4-15-5-12-10(11)14-15/h5-6H,2-4H2,1H3,(H2,11,14)(H,13,17,19).
What are the key properties of 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione?
4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 266.26 g/mol, XLogP of -1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-amino-1,2,4-triazol-1-yl)acetyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).