ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate

C11H14N6O4 — CID 22433695

IUPACethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1c(C)nc2nc[nH]n2c1=O
InChIInChI=1S/C11H14N6O4/c1-3-21-7(18)4-12-11(20)16-8-6(2)15-10-13-5-14-17(10)9(8)19/h5H,3-4H2,1-2H3,(H2,12,16,20)(H,13,14,15)
InChIKeyNONNJAIVMDRZMF-UHFFFAOYSA-N
MW294.27 g/mol
LogP-0.59
Rot. Bonds4

About ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate

ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate (PubChem CID 22433695) has the molecular formula C11H14N6O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate
PubChem CID22433695
Molecular FormulaC11H14N6O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Nameethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1c(C)nc2nc[nH]n2c1=O
InChIInChI=1S/C11H14N6O4/c1-3-21-7(18)4-12-11(20)16-8-6(2)15-10-13-5-14-17(10)9(8)19/h5H,3-4H2,1-2H3,(H2,12,16,20)(H,13,14,15)
InChIKeyNONNJAIVMDRZMF-UHFFFAOYSA-N
XLogP-0.59
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate (CID 22433695) is ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1c(C)nc2nc[nH]n2c1=O.
What is the InChIKey of ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate?
The InChIKey is NONNJAIVMDRZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O4/c1-3-21-7(18)4-12-11(20)16-8-6(2)15-10-13-5-14-17(10)9(8)19/h5H,3-4H2,1-2H3,(H2,12,16,20)(H,13,14,15).
What are the key properties of ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate?
ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate has a molecular weight of 294.27 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)carbamoylamino]acetate is sourced from PubChem (CID 22433695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).