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

C9H12N4O — CID 43184095

IUPAC2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCCCn1nc2ccccn2c1=O
InChIInChI=1S/C9H12N4O/c10-5-3-7-13-9(14)12-6-2-1-4-8(12)11-13/h1-2,4,6H,3,5,7,10H2
InChIKeyQFSWXZCTAOENQY-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.16
Rot. Bonds3

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

2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43184095) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43184095
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESNCCCn1nc2ccccn2c1=O
InChIInChI=1S/C9H12N4O/c10-5-3-7-13-9(14)12-6-2-1-4-8(12)11-13/h1-2,4,6H,3,5,7,10H2
InChIKeyQFSWXZCTAOENQY-UHFFFAOYSA-N
XLogP-0.16
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

2-(prop-2-en-1-yl)-2H,3H-(1,2,4)triazolo(4,3-a)pyridin-3-one
CID 70521154
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-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-[2-(Aminomethyl)-3,3-difluoroprop-2-enyl]-7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 153607878
2-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 153607896
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
1-(2,2-Difluoroethyl)-3-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1-propylurea
CID 100905189
2-(2-fluoroethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 104625972

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43184095) is 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is NCCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QFSWXZCTAOENQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-5-3-7-13-9(14)12-6-2-1-4-8(12)11-13/h1-2,4,6H,3,5,7,10H2.
What are the key properties of 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 192.22 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43184095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).