ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate

C13H19N5O2 — CID 133407087

IUPACethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C13H19N5O2/c1-4-20-12(19)6-5-9(2)16-11-7-10(3)17-13-14-8-15-18(11)13/h7-9,16H,4-6H2,1-3H3
InChIKeyHIMKUTBBPYRRSP-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.58
Rot. Bonds6

About ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate

ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate (PubChem CID 133407087) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
PubChem CID133407087
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nameethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
SMILESCCOC(=O)CCC(C)Nc1cc(C)nc2ncnn12
InChIInChI=1S/C13H19N5O2/c1-4-20-12(19)6-5-9(2)16-11-7-10(3)17-13-14-8-15-18(11)13/h7-9,16H,4-6H2,1-3H3
InChIKeyHIMKUTBBPYRRSP-UHFFFAOYSA-N
XLogP1.58
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
ethyl 2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetate
CID 60810672
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-propylpropanamide
CID 60658927
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61221327
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133465187
4-methyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoic acid
CID 82683204
ethyl (2R,3S)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylbutanoate
CID 99798308
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 47007393
2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine
CID 80704301
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate?
The IUPAC name of ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate (CID 133407087) is ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate.
What is the SMILES notation for ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate?
The canonical SMILES for ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate is CCOC(=O)CCC(C)Nc1cc(C)nc2ncnn12.
What is the InChIKey of ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate?
The InChIKey is HIMKUTBBPYRRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-4-20-12(19)6-5-9(2)16-11-7-10(3)17-13-14-8-15-18(11)13/h7-9,16H,4-6H2,1-3H3.
What are the key properties of ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate?
ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate has a molecular weight of 277.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate is sourced from PubChem (CID 133407087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).