2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H20N4O — CID 63913073

IUPAC2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNC(Cn1nc2ccccn2c1=O)C1CC1
InChIInChI=1S/C14H20N4O/c1-2-8-15-12(11-6-7-11)10-18-14(19)17-9-4-3-5-13(17)16-18/h3-5,9,11-12,15H,2,6-8,10H2,1H3
InChIKeyYHGITROWNMZHNU-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 63913073) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID63913073
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCNC(Cn1nc2ccccn2c1=O)C1CC1
InChIInChI=1S/C14H20N4O/c1-2-8-15-12(11-6-7-11)10-18-14(19)17-9-4-3-5-13(17)16-18/h3-5,9,11-12,15H,2,6-8,10H2,1H3
InChIKeyYHGITROWNMZHNU-UHFFFAOYSA-N
XLogP1.27
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618637
2-[3-(propylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 61387565
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
1-[2-cyclopropyl-2-(propylamino)ethyl]pyridin-4-one
CID 63914624
2-methyl-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanamide
CID 116618681
1-[2-cyclopropyl-2-(propylamino)ethyl]-3-methylpyridin-2-one
CID 63914629
2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
2-[4-(ethylamino)hexyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 106800246
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-pentan-2-ylacetamide
CID 115577809
N-(1-cyclopentyl-2-indazol-1-ylethyl)propan-1-amine
CID 104747505
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
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-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 63913073) is 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCNC(Cn1nc2ccccn2c1=O)C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is YHGITROWNMZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-8-15-12(11-6-7-11)10-18-14(19)17-9-4-3-5-13(17)16-18/h3-5,9,11-12,15H,2,6-8,10H2,1H3.
What are the key properties of 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 260.34 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(propylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 63913073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).