7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one

C6H7N5O2 — CID 15421911

IUPAC7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one
SMILESCn1nnc2c(ncn2CO)c1=O
InChIInChI=1S/C6H7N5O2/c1-10-6(13)4-5(8-9-10)11(3-12)2-7-4/h2,12H,3H2,1H3
InChIKeyPYNKESOTRZEPGE-UHFFFAOYSA-N
MW181.16 g/mol
LogP-1.53
Rot. Bonds1

About 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one

7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one (PubChem CID 15421911) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one
PubChem CID15421911
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one
SMILESCn1nnc2c(ncn2CO)c1=O
InChIInChI=1S/C6H7N5O2/c1-10-6(13)4-5(8-9-10)11(3-12)2-7-4/h2,12H,3H2,1H3
InChIKeyPYNKESOTRZEPGE-UHFFFAOYSA-N
XLogP-1.53
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one?
The IUPAC name of 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one (CID 15421911) is 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one.
What is the SMILES notation for 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one?
The canonical SMILES for 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one is Cn1nnc2c(ncn2CO)c1=O.
What is the InChIKey of 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one?
The InChIKey is PYNKESOTRZEPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c1-10-6(13)4-5(8-9-10)11(3-12)2-7-4/h2,12H,3H2,1H3.
What are the key properties of 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one?
7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one has a molecular weight of 181.16 g/mol, XLogP of -1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-3-methylimidazo[4,5-d]triazin-4-one is sourced from PubChem (CID 15421911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).