ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate

C12H17N5O2 — CID 75391336

IUPACethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1c(C)c(C)nc2ncnn12
InChIInChI=1S/C12H17N5O2/c1-5-19-10(18)6-16(4)11-8(2)9(3)15-12-13-7-14-17(11)12/h7H,5-6H2,1-4H3
InChIKeyYROGKEVGLMFVQM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.74
Rot. Bonds4

About ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate

ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate (PubChem CID 75391336) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate
PubChem CID75391336
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Nameethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate
SMILESCCOC(=O)CN(C)c1c(C)c(C)nc2ncnn12
InChIInChI=1S/C12H17N5O2/c1-5-19-10(18)6-16(4)11-8(2)9(3)15-12-13-7-14-17(11)12/h7H,5-6H2,1-4H3
InChIKeyYROGKEVGLMFVQM-UHFFFAOYSA-N
XLogP0.74
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-{[1-(2-methoxyethyl)-3-pyrrolidinyl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56912322
Ethyl 7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine-3-carboxylate
CID 63355803
4-{5,6-Dimethyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}morpholine
CID 53017021
4-(5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-(2-methylpropyl)piperazin-2-one
CID 91650220
N-(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-diethylamine
CID 53017020
Ethyl 2-[prop-2-enyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate
CID 75391338
Propan-2-yl 2-[methyl-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propanoate
CID 133367251
1-{5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-3-methoxy-3-(trifluoromethyl)azetidine
CID 171704159
1-{5,6-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-3-fluoro-3-(methoxymethyl)pyrrolidine
CID 172006263
4-{6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-A]pyrimidin-7-YL}morpholine
CID 53017038
5-Methyl-6-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 14097492
[7-(Diethylamino)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl acetate
CID 15718306

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate (CID 75391336) is ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate is CCOC(=O)CN(C)c1c(C)c(C)nc2ncnn12.
What is the InChIKey of ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate?
The InChIKey is YROGKEVGLMFVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-5-19-10(18)6-16(4)11-8(2)9(3)15-12-13-7-14-17(11)12/h7H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate?
ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate has a molecular weight of 263.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]acetate is sourced from PubChem (CID 75391336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).