6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C8H9N3O — CID 174366236

IUPAC6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCc1cc2c(=O)[nH]cnn2c1
InChIInChI=1S/C8H9N3O/c1-2-6-3-7-8(12)9-5-10-11(7)4-6/h3-5H,2H2,1H3,(H,9,10,12)
InChIKeyCXYQWSNTFKWJBQ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.58
Rot. Bonds1

About 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 174366236) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID174366236
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCc1cc2c(=O)[nH]cnn2c1
InChIInChI=1S/C8H9N3O/c1-2-6-3-7-8(12)9-5-10-11(7)4-6/h3-5H,2H2,1H3,(H,9,10,12)
InChIKeyCXYQWSNTFKWJBQ-UHFFFAOYSA-N
XLogP0.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 174366236) is 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is CCc1cc2c(=O)[nH]cnn2c1.
What is the InChIKey of 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is CXYQWSNTFKWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-2-6-3-7-8(12)9-5-10-11(7)4-6/h3-5H,2H2,1H3,(H,9,10,12).
What are the key properties of 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 163.18 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 174366236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).