ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate

C14H20N6O2 — CID 82555488

IUPACethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc3nc(N)nn3c2C)CC1
InChIInChI=1S/C14H20N6O2/c1-3-22-14(21)19-8-6-18(7-9-19)11-4-5-12-16-13(15)17-20(12)10(11)2/h4-5H,3,6-9H2,1-2H3,(H2,15,17)
InChIKeyNHHNYCFXEJLLNA-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.90
Rot. Bonds2

About ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate

ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate (PubChem CID 82555488) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate
PubChem CID82555488
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Nameethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc3nc(N)nn3c2C)CC1
InChIInChI=1S/C14H20N6O2/c1-3-22-14(21)19-8-6-18(7-9-19)11-4-5-12-16-13(15)17-20(12)10(11)2/h4-5H,3,6-9H2,1-2H3,(H2,15,17)
InChIKeyNHHNYCFXEJLLNA-UHFFFAOYSA-N
XLogP0.90
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-amino-3-pyridinyl)piperazine-1-carboxylate
CID 107876769
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
4-amino-3-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid
CID 107877589
ethyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
CID 103633734
ethyl 4-(4-bromo-2-chlorophenyl)piperazine-1-carboxylate
CID 169336537
tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 177246071
tert-butyl 4-(6-ethoxycarbonyl-2-methyl-3-pyridinyl)piperazine-1-carboxylate;ethane
CID 177246070
ethyl 4-[6-(trifluoromethyl)cyclohepta[d]imidazol-2-yl]piperazine-1-carboxylate
CID 54568628
ethyl 4-(2-iodo-4-nitrosophenyl)piperazine-1-carboxylate
CID 89203073
ethyl 4-(3-amino-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate
CID 103757761
ethyl 4-(6-amino-2,5-dimethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 104526987
3-(4-ethoxycarbonylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 107877070

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate (CID 82555488) is ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc3nc(N)nn3c2C)CC1.
What is the InChIKey of ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate?
The InChIKey is NHHNYCFXEJLLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-3-22-14(21)19-8-6-18(7-9-19)11-4-5-12-16-13(15)17-20(12)10(11)2/h4-5H,3,6-9H2,1-2H3,(H2,15,17).
What are the key properties of ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate?
ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 82555488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).