ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate

C12H17N5O3 — CID 62011261

IUPACethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate
SMILESCCOC(=O)CCN(C)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C12H17N5O3/c1-3-20-11(19)4-5-16(2)7-9-6-10(18)17-12(15-9)13-8-14-17/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyUCOVNKQBERVVDH-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.20
Rot. Bonds6

About ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate

ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate (PubChem CID 62011261) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate
PubChem CID62011261
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Nameethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate
SMILESCCOC(=O)CCN(C)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C12H17N5O3/c1-3-20-11(19)4-5-16(2)7-9-6-10(18)17-12(15-9)13-8-14-17/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyUCOVNKQBERVVDH-UHFFFAOYSA-N
XLogP-0.20
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate 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 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate?
The IUPAC name of ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate (CID 62011261) is ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate?
The canonical SMILES for ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate is CCOC(=O)CCN(C)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate?
The InChIKey is UCOVNKQBERVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-3-20-11(19)4-5-16(2)7-9-6-10(18)17-12(15-9)13-8-14-17/h6,8H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate?
ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate has a molecular weight of 279.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]propanoate is sourced from PubChem (CID 62011261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).