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

C13H19N5O3 — CID 62028716

IUPACethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cc(=O)n2[nH]cnc2n1)C(C)C
InChIInChI=1S/C13H19N5O3/c1-4-21-12(20)7-17(9(2)3)6-10-5-11(19)18-13(16-10)14-8-15-18/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyWHIVKUGDSSKOOB-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.19
Rot. Bonds6

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

ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate (PubChem CID 62028716) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate
PubChem CID62028716
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Nameethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1cc(=O)n2[nH]cnc2n1)C(C)C
InChIInChI=1S/C13H19N5O3/c1-4-21-12(20)7-17(9(2)3)6-10-5-11(19)18-13(16-10)14-8-15-18/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16)
InChIKeyWHIVKUGDSSKOOB-UHFFFAOYSA-N
XLogP0.19
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 2-[ethyl-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]amino]acetate
CID 62026759
5-[[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 135101045
5-[[3-aminopropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115319265
5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91836050
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
5-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 79665484
2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)oxy]acetic acid
CID 59476771
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
5-[[2,1,3-benzothiadiazol-5-ylmethyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 91834795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate (CID 62028716) is ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate is CCOC(=O)CN(Cc1cc(=O)n2[nH]cnc2n1)C(C)C.
What is the InChIKey of ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate?
The InChIKey is WHIVKUGDSSKOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-4-21-12(20)7-17(9(2)3)6-10-5-11(19)18-13(16-10)14-8-15-18/h5,8-9H,4,6-7H2,1-3H3,(H,14,15,16).
What are the key properties of ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate?
ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate has a molecular weight of 293.33 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 62028716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).