ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate

C7H10N4O3 — CID 118972479

IUPACethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate
SMILESCCOC(=O)Cn1cnc(N)nc1=O
InChIInChI=1S/C7H10N4O3/c1-2-14-5(12)3-11-4-9-6(8)10-7(11)13/h4H,2-3H2,1H3,(H2,8,10,13)
InChIKeyGKYSOCJVQWFULO-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.22
Rot. Bonds3

About ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate

ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate (PubChem CID 118972479) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate
PubChem CID118972479
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Nameethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate
SMILESCCOC(=O)Cn1cnc(N)nc1=O
InChIInChI=1S/C7H10N4O3/c1-2-14-5(12)3-11-4-9-6(8)10-7(11)13/h4H,2-3H2,1H3,(H2,8,10,13)
InChIKeyGKYSOCJVQWFULO-UHFFFAOYSA-N
XLogP-1.22
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 2-(diaminomethylidenecarbamoylamino)acetate;hydrochloride
CID 122193344
Ethyl 2-(diaminomethylidenecarbamoylamino)acetate
CID 122193345
glycine, N-[[[(dimethylamino)methylene]amino]carbonyl]-, methyl ester
CID 91701115
Ethyl 2-(2,4-dioxo-1,3,5-triazin-1-yl)acetate
CID 118972640
4-Amino-2,5-dimethyl-2,6-dihydro-1,3,5-oxadiazepin-7-one
CID 121408724
Methyl 2-(2-oxo-1,3,5-triazin-1-yl)acetate
CID 140975825
Ethyl 2-[carbamoyl(carbonobromidimidoyl)amino]acetate
CID 156847508
2-[Carbamoyl(methanimidoyl)amino]ethyl acetate
CID 156847595

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate (CID 118972479) is ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate is CCOC(=O)Cn1cnc(N)nc1=O.
What is the InChIKey of ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate?
The InChIKey is GKYSOCJVQWFULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-2-14-5(12)3-11-4-9-6(8)10-7(11)13/h4H,2-3H2,1H3,(H2,8,10,13).
What are the key properties of ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate?
ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate has a molecular weight of 198.18 g/mol, XLogP of -1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-amino-2-oxo-1,3,5-triazin-1-yl)acetate is sourced from PubChem (CID 118972479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).