3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one

C10H8N6O — CID 135967964

IUPAC3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one
SMILESNc1ccn2nc(-c3ccc[nH]c3=O)nc2n1
InChIInChI=1S/C10H8N6O/c11-7-3-5-16-10(13-7)14-8(15-16)6-2-1-4-12-9(6)17/h1-5H,(H,12,17)(H2,11,13,14,15)
InChIKeyTXNSJIYBSIYZIB-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.06
Rot. Bonds1

About 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one

3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one (PubChem CID 135967964) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one
PubChem CID135967964
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one
SMILESNc1ccn2nc(-c3ccc[nH]c3=O)nc2n1
InChIInChI=1S/C10H8N6O/c11-7-3-5-16-10(13-7)14-8(15-16)6-2-1-4-12-9(6)17/h1-5H,(H,12,17)(H2,11,13,14,15)
InChIKeyTXNSJIYBSIYZIB-UHFFFAOYSA-N
XLogP0.06
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one (CID 135967964) is 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one is Nc1ccn2nc(-c3ccc[nH]c3=O)nc2n1.
What is the InChIKey of 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one?
The InChIKey is TXNSJIYBSIYZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-7-3-5-16-10(13-7)14-8(15-16)6-2-1-4-12-9(6)17/h1-5H,(H,12,17)(H2,11,13,14,15).
What are the key properties of 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one?
3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one has a molecular weight of 228.22 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135967964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).