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

C7H8N4O2 — CID 15672774

IUPAC5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(CO)cc(=O)n2[nH]1
InChIInChI=1S/C7H8N4O2/c1-4-8-7-9-5(3-12)2-6(13)11(7)10-4/h2,12H,3H2,1H3,(H,8,9,10)
InChIKeyAYVGWSJOFCFOKC-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.78
Rot. Bonds1

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

5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 15672774) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID15672774
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(CO)cc(=O)n2[nH]1
InChIInChI=1S/C7H8N4O2/c1-4-8-7-9-5(3-12)2-6(13)11(7)10-4/h2,12H,3H2,1H3,(H,8,9,10)
InChIKeyAYVGWSJOFCFOKC-UHFFFAOYSA-N
XLogP-0.78
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 15672774) is 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(CO)cc(=O)n2[nH]1.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AYVGWSJOFCFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-4-8-7-9-5(3-12)2-6(13)11(7)10-4/h2,12H,3H2,1H3,(H,8,9,10).
What are the key properties of 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 180.17 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 15672774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).