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

C9H12N4O — CID 43183764

IUPAC2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(N)Cn1nc2ccccn2c1=O
InChIInChI=1S/C9H12N4O/c1-7(10)6-13-9(14)12-5-3-2-4-8(12)11-13/h2-5,7H,6,10H2,1H3
InChIKeyRGNAUGIPBOMCIQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.16
Rot. Bonds2

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

2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43183764) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43183764
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC(N)Cn1nc2ccccn2c1=O
InChIInChI=1S/C9H12N4O/c1-7(10)6-13-9(14)12-5-3-2-4-8(12)11-13/h2-5,7H,6,10H2,1H3
InChIKeyRGNAUGIPBOMCIQ-UHFFFAOYSA-N
XLogP-0.16
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetamide
CID 42954916
1-Butan-2-yl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47092526
1-Ethyl-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]urea
CID 47481211
2-(3-aminopropyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43184095
2-(3-oxo-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-2-yl)ethanethioamide
CID 24710736
2-(2-aminoethyl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 43184083
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43752801
2-(4-Amino-1,1,1-trifluorobutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43753219
2-[2-(2,2,2-Trifluoroethylamino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55087933
2-propyl-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 20577013
2-(3-Aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-1-ium-3-one
CID 28125967
6-amino-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CID 55268557

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43183764) is 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC(N)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RGNAUGIPBOMCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-7(10)6-13-9(14)12-5-3-2-4-8(12)11-13/h2-5,7H,6,10H2,1H3.
What are the key properties of 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 192.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43183764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).