1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine

C13H20N4O — CID 113259974

IUPAC1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
SMILESCCOCC(C)NC(C)c1nnc2ccccn12
InChIInChI=1S/C13H20N4O/c1-4-18-9-10(2)14-11(3)13-16-15-12-7-5-6-8-17(12)13/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyJEJGJLRPWVNVDQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.80
Rot. Bonds6

About 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine

1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine (PubChem CID 113259974) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
PubChem CID113259974
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
SMILESCCOCC(C)NC(C)c1nnc2ccccn12
InChIInChI=1S/C13H20N4O/c1-4-18-9-10(2)14-11(3)13-16-15-12-7-5-6-8-17(12)13/h5-8,10-11,14H,4,9H2,1-3H3
InChIKeyJEJGJLRPWVNVDQ-UHFFFAOYSA-N
XLogP1.80
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-2-amine
CID 51885542
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]hex-5-en-2-amine
CID 104578555
(2R)-3-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 51885544
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butan-2-amine
CID 43685626
1-pyridin-4-yl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43685630
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-yn-1-amine
CID 60720945
N-[(4-methoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 43230914
N-[[4-(difluoromethoxy)phenyl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 42919850
(1R)-N-[(2-chlorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697737
(1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 26697749
N-[(5-ethylfuran-2-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 62345446
3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 149496307

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine (CID 113259974) is 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine is CCOCC(C)NC(C)c1nnc2ccccn12.
What is the InChIKey of 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine?
The InChIKey is JEJGJLRPWVNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-18-9-10(2)14-11(3)13-16-15-12-7-5-6-8-17(12)13/h5-8,10-11,14H,4,9H2,1-3H3.
What are the key properties of 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine?
1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 113259974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).