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

C13H19N5O2 — CID 133465187

IUPACethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)c1cc(C)nc2ncnn12
InChIInChI=1S/C13H19N5O2/c1-5-20-12(19)7-10(3)17(4)11-6-9(2)16-13-14-8-15-18(11)13/h6,8,10H,5,7H2,1-4H3
InChIKeyVJQKTISMZPMAIH-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.21
Rot. Bonds5

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

ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate (PubChem CID 133465187) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
PubChem CID133465187
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Nameethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)c1cc(C)nc2ncnn12
InChIInChI=1S/C13H19N5O2/c1-5-20-12(19)7-10(3)17(4)11-6-9(2)16-13-14-8-15-18(11)13/h6,8,10H,5,7H2,1-4H3
InChIKeyVJQKTISMZPMAIH-UHFFFAOYSA-N
XLogP1.21
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 115765238
methyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 62005412
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)-propan-2-ylamino]acetic acid
CID 55021059
ethyl 4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentanoate
CID 133407087
2-[2-methylpropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 63065023
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
6-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexane-1,2,3,4,5-pentol
CID 3512269
ethyl (E)-3-(dimethylamino)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)prop-2-enoate
CID 139049380
ethyl 3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate
CID 133363441
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
N,5-dimethyl-N-[(1S)-1-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 94819136

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate?
The IUPAC name of ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate (CID 133465187) is ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate.
What is the SMILES notation for ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate?
The canonical SMILES for ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate is CCOC(=O)CC(C)N(C)c1cc(C)nc2ncnn12.
What is the InChIKey of ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate?
The InChIKey is VJQKTISMZPMAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-5-20-12(19)7-10(3)17(4)11-6-9(2)16-13-14-8-15-18(11)13/h6,8,10H,5,7H2,1-4H3.
What are the key properties of ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate?
ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate has a molecular weight of 277.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butanoate is sourced from PubChem (CID 133465187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).