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

C12H16N4O — CID 61387550

IUPAC2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCNC2CC2)nc2ccccn12
InChIInChI=1S/C12H16N4O/c17-12-15-8-2-1-4-11(15)14-16(12)9-3-7-13-10-5-6-10/h1-2,4,8,10,13H,3,5-7,9H2
InChIKeyZNRQMQGMZARQIC-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.64
Rot. Bonds5

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

2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 61387550) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID61387550
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCCNC2CC2)nc2ccccn12
InChIInChI=1S/C12H16N4O/c17-12-15-8-2-1-4-11(15)14-16(12)9-3-7-13-10-5-6-10/h1-2,4,8,10,13H,3,5-7,9H2
InChIKeyZNRQMQGMZARQIC-UHFFFAOYSA-N
XLogP0.64
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 61387550) is 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCCNC2CC2)nc2ccccn12.
What is the InChIKey of 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is ZNRQMQGMZARQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12-15-8-2-1-4-11(15)14-16(12)9-3-7-13-10-5-6-10/h1-2,4,8,10,13H,3,5-7,9H2.
What are the key properties of 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 232.29 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 61387550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).