2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide

C8H14N6O2 — CID 64532139

IUPAC2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H14N6O2/c9-3-7(15)11-4-8(16)10-2-1-6-12-5-13-14-6/h5H,1-4,9H2,(H,10,16)(H,11,15)(H,12,13,14)
InChIKeyXMLXLAFXJSOZIE-UHFFFAOYSA-N
MW226.24 g/mol
LogP-2.46
Rot. Bonds6

About 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide

2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide (PubChem CID 64532139) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
PubChem CID64532139
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H14N6O2/c9-3-7(15)11-4-8(16)10-2-1-6-12-5-13-14-6/h5H,1-4,9H2,(H,10,16)(H,11,15)(H,12,13,14)
InChIKeyXMLXLAFXJSOZIE-UHFFFAOYSA-N
XLogP-2.46
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-2.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64532137
4-tert-butyl-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]benzamide
CID 122142700
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
2-[1-(aminomethyl)cyclohexyl]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 104678292
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]dodecanamide
CID 65426736
2-cyclobutyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725330
3-methylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64548213
2-[2-(aminomethyl)phenoxy]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64517211
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 64547195
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
2-amino-N-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]acetamide
CID 106397273

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide (CID 64532139) is 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide is NCC(=O)NCC(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide?
The InChIKey is XMLXLAFXJSOZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c9-3-7(15)11-4-8(16)10-2-1-6-12-5-13-14-6/h5H,1-4,9H2,(H,10,16)(H,11,15)(H,12,13,14).
What are the key properties of 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide has a molecular weight of 226.24 g/mol, XLogP of -2.46, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]acetamide is sourced from PubChem (CID 64532139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).