2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H10N4O2 — CID 46268318

IUPAC2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(CO)[nH]n2c(=O)c1C
InChIInChI=1S/C8H10N4O2/c1-4-5(2)9-8-10-6(3-13)11-12(8)7(4)14/h13H,3H2,1-2H3,(H,9,10,11)
InChIKeyAEOLPTBEJURMEJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.47
Rot. Bonds1

About 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 46268318) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID46268318
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(CO)[nH]n2c(=O)c1C
InChIInChI=1S/C8H10N4O2/c1-4-5(2)9-8-10-6(3-13)11-12(8)7(4)14/h13H,3H2,1-2H3,(H,9,10,11)
InChIKeyAEOLPTBEJURMEJ-UHFFFAOYSA-N
XLogP-0.47
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 46268318) is 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(CO)[nH]n2c(=O)c1C.
What is the InChIKey of 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AEOLPTBEJURMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-4-5(2)9-8-10-6(3-13)11-12(8)7(4)14/h13H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 194.19 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46268318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).