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

C10H14N4O2 — CID 43187973

IUPAC2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNCC(O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C10H14N4O2/c1-11-6-8(15)7-14-10(16)13-5-3-2-4-9(13)12-14/h2-5,8,11,15H,6-7H2,1H3
InChIKeyGQPVFCFBZPENSO-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.92
Rot. Bonds4

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

2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43187973) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43187973
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCNCC(O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C10H14N4O2/c1-11-6-8(15)7-14-10(16)13-5-3-2-4-9(13)12-14/h2-5,8,11,15H,6-7H2,1H3
InChIKeyGQPVFCFBZPENSO-UHFFFAOYSA-N
XLogP-0.92
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43187973) is 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CNCC(O)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is GQPVFCFBZPENSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-11-6-8(15)7-14-10(16)13-5-3-2-4-9(13)12-14/h2-5,8,11,15H,6-7H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 222.25 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(methylamino)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43187973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).