2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H22N4O — CID 106800246

IUPAC2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNC(CC)CCCn1nc2ccccn2c1=O
InChIInChI=1S/C14H22N4O/c1-3-12(15-4-2)8-7-11-18-14(19)17-10-6-5-9-13(17)16-18/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3
InChIKeyBFKYQAZCQWQHFV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.66
Rot. Bonds7

About 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 106800246) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID106800246
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCNC(CC)CCCn1nc2ccccn2c1=O
InChIInChI=1S/C14H22N4O/c1-3-12(15-4-2)8-7-11-18-14(19)17-10-6-5-9-13(17)16-18/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3
InChIKeyBFKYQAZCQWQHFV-UHFFFAOYSA-N
XLogP1.66
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
1-[(2R)-butan-2-yl]-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 94796607
2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618637
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
2-[2-(4-ethoxybutylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62564723
2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115870969
2-(5-amino-4,4-dimethylpentyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 65254173
(2R)-2-(diethylamino)-3-methyl-N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]butanamide
CID 95327050
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 106800246) is 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCNC(CC)CCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BFKYQAZCQWQHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-12(15-4-2)8-7-11-18-14(19)17-10-6-5-9-13(17)16-18/h5-6,9-10,12,15H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 262.36 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 106800246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).