6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C8H9N3O3 — CID 135601400

IUPAC6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1c(CO)cn2nc[nH]c(=O)c12
InChIInChI=1S/C8H9N3O3/c1-14-7-5(3-12)2-11-6(7)8(13)9-4-10-11/h2,4,12H,3H2,1H3,(H,9,10,13)
InChIKeyGULQDJOVHASRMM-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.48
Rot. Bonds2

About 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135601400) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135601400
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1c(CO)cn2nc[nH]c(=O)c12
InChIInChI=1S/C8H9N3O3/c1-14-7-5(3-12)2-11-6(7)8(13)9-4-10-11/h2,4,12H,3H2,1H3,(H,9,10,13)
InChIKeyGULQDJOVHASRMM-UHFFFAOYSA-N
XLogP-0.48
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135601400) is 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is COc1c(CO)cn2nc[nH]c(=O)c12.
What is the InChIKey of 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is GULQDJOVHASRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-14-7-5(3-12)2-11-6(7)8(13)9-4-10-11/h2,4,12H,3H2,1H3,(H,9,10,13).
What are the key properties of 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 195.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135601400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).