3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine

C16H24N4O — CID 65167802

IUPAC3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2nnc3ccccn23)C1(C)CC
InChIInChI=1S/C16H24N4O/c1-4-16(3)12(10-13(16)21-5-2)17-11-15-19-18-14-8-6-7-9-20(14)15/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyYIMDBWOTVNTMLN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.41
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine (PubChem CID 65167802) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine
PubChem CID65167802
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2nnc3ccccn23)C1(C)CC
InChIInChI=1S/C16H24N4O/c1-4-16(3)12(10-13(16)21-5-2)17-11-15-19-18-14-8-6-7-9-20(14)15/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyYIMDBWOTVNTMLN-UHFFFAOYSA-N
XLogP2.41
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
CID 107229736
3-ethoxy-2-ethyl-2-methyl-N-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine
CID 65169439
3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 65169503
7,7-dimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64862717
2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-1-amine
CID 28711089
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 79237350
1-[5-(2-methylcyclopropyl)furan-2-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 43182864
(1R,2S,6S,7S,8R)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 9114126
5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65168199
2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 42917710
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine (CID 65167802) is 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine is CCOC1CC(NCc2nnc3ccccn23)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is YIMDBWOTVNTMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-16(3)12(10-13(16)21-5-2)17-11-15-19-18-14-8-6-7-9-20(14)15/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 65167802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).