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

C7H8N4O3 — CID 15672784

IUPAC2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CO)nc2nc(CO)[nH]n12
InChIInChI=1S/C7H8N4O3/c12-2-4-1-6(14)11-7(8-4)9-5(3-13)10-11/h1,12-13H,2-3H2,(H,8,9,10)
InChIKeyVEANUWYBRDPKDT-UHFFFAOYSA-N
MW196.17 g/mol
LogP-1.60
Rot. Bonds2

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

2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 15672784) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID15672784
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CO)nc2nc(CO)[nH]n12
InChIInChI=1S/C7H8N4O3/c12-2-4-1-6(14)11-7(8-4)9-5(3-13)10-11/h1,12-13H,2-3H2,(H,8,9,10)
InChIKeyVEANUWYBRDPKDT-UHFFFAOYSA-N
XLogP-1.60
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 15672784) is 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CO)nc2nc(CO)[nH]n12.
What is the InChIKey of 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VEANUWYBRDPKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c12-2-4-1-6(14)11-7(8-4)9-5(3-13)10-11/h1,12-13H,2-3H2,(H,8,9,10).
What are the key properties of 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 196.17 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(hydroxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 15672784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).