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

C7H7N3O3 — CID 135998498

IUPAC6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1c(O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C7H7N3O3/c1-13-6-4(11)2-10-5(6)7(12)8-3-9-10/h2-3,11H,1H3,(H,8,9,12)
InChIKeyCHXPZBFXBRRYQR-UHFFFAOYSA-N
MW181.15 g/mol
LogP-0.26
Rot. Bonds1

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

6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135998498) has the molecular formula C7H7N3O3 and a molecular weight of 181.15 g/mol. Its IUPAC name is 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135998498
Molecular FormulaC7H7N3O3
Molecular Weight181.15 g/mol
Exact Mass181.05
IUPAC Name6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1c(O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C7H7N3O3/c1-13-6-4(11)2-10-5(6)7(12)8-3-9-10/h2-3,11H,1H3,(H,8,9,12)
InChIKeyCHXPZBFXBRRYQR-UHFFFAOYSA-N
XLogP-0.26
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135998498) is 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is COc1c(O)cn2nc[nH]c(=O)c12.
What is the InChIKey of 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is CHXPZBFXBRRYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3/c1-13-6-4(11)2-10-5(6)7(12)8-3-9-10/h2-3,11H,1H3,(H,8,9,12).
What are the key properties of 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 181.15 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135998498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).