ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate

C15H23N5O2 — CID 54479137

IUPACethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(CC)nc(N(C)CC)c2nnn(CC)c12
InChIInChI=1S/C15H23N5O2/c1-6-10-11(15(21)22-9-4)13-12(17-18-20(13)8-3)14(16-10)19(5)7-2/h6-9H2,1-5H3
InChIKeyXNSYVMLWBHJXKY-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.04
Rot. Bonds6

About ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate

ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate (PubChem CID 54479137) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate
PubChem CID54479137
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Nameethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate
SMILESCCOC(=O)c1c(CC)nc(N(C)CC)c2nnn(CC)c12
InChIInChI=1S/C15H23N5O2/c1-6-10-11(15(21)22-9-4)13-12(17-18-20(13)8-3)14(16-10)19(5)7-2/h6-9H2,1-5H3
InChIKeyXNSYVMLWBHJXKY-UHFFFAOYSA-N
XLogP2.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-ethoxy-1-ethyl-6-phenyltriazolo[4,5-c]pyridine-7-carboxylate
CID 54370194
methyl 1-ethyl-4-methoxy-6-methyltriazolo[4,5-c]pyridine-7-carboxylate
CID 54550662
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate
CID 70260877
ethyl 2-ethyl-4-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 58014043
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
CID 135370939
ethyl 5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 101384710
methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
CID 102808860
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739

Frequently Asked Questions

What is the IUPAC name of ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate?
The IUPAC name of ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate (CID 54479137) is ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate?
The canonical SMILES for ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate is CCOC(=O)c1c(CC)nc(N(C)CC)c2nnn(CC)c12.
What is the InChIKey of ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate?
The InChIKey is XNSYVMLWBHJXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-6-10-11(15(21)22-9-4)13-12(17-18-20(13)8-3)14(16-10)19(5)7-2/h6-9H2,1-5H3.
What are the key properties of ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate?
ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,6-diethyl-4-[ethyl(methyl)amino]triazolo[4,5-c]pyridine-7-carboxylate is sourced from PubChem (CID 54479137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).