N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide

C8H14N6O3 — CID 106233336

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide
SMILESNC(=O)COCCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C8H14N6O3/c9-6(15)4-17-2-1-11-7(16)3-14-5-12-8(10)13-14/h5H,1-4H2,(H2,9,15)(H2,10,13)(H,11,16)
InChIKeyHMJQIAHAHHEKKP-UHFFFAOYSA-N
MW242.24 g/mol
LogP-2.52
Rot. Bonds7

About N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide

N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide (PubChem CID 106233336) has the molecular formula C8H14N6O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide
PubChem CID106233336
Molecular FormulaC8H14N6O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide
SMILESNC(=O)COCCNC(=O)Cn1cnc(N)n1
InChIInChI=1S/C8H14N6O3/c9-6(15)4-17-2-1-11-7(16)3-14-5-12-8(10)13-14/h5H,1-4H2,(H2,9,15)(H2,10,13)(H,11,16)
InChIKeyHMJQIAHAHHEKKP-UHFFFAOYSA-N
XLogP-2.52
TPSA138.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 5-2.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 55012849
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-sulfamoylethyl)acetamide
CID 61016737
(2-amino-2-oxoethyl) 2-(3-amino-1,2,4-triazol-1-yl)acetate
CID 61315878
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106242189
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 106425302
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61241529
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-cyclopentylpropyl)acetamide
CID 114136466
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 114171668
2-(3-amino-1,2,4-triazol-1-yl)-N-(2-thiomorpholin-4-ylethyl)acetamide
CID 106324469
2-(3-carbamothioyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 62950901
2-(3-amino-1,2,4-triazol-1-yl)-N-(2,3-dihydroxypropyl)acetamide
CID 66177776

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide (CID 106233336) is N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide is NC(=O)COCCNC(=O)Cn1cnc(N)n1.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide?
The InChIKey is HMJQIAHAHHEKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O3/c9-6(15)4-17-2-1-11-7(16)3-14-5-12-8(10)13-14/h5H,1-4H2,(H2,9,15)(H2,10,13)(H,11,16).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide has a molecular weight of 242.24 g/mol, XLogP of -2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-amino-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 106233336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).