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

C8H9N3O — CID 135905369

IUPAC5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1cn2nc[nH]c(=O)c2c1C
InChIInChI=1S/C8H9N3O/c1-5-3-11-7(6(5)2)8(12)9-4-10-11/h3-4H,1-2H3,(H,9,10,12)
InChIKeySOECYEZAJRTTHT-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.64
Rot. Bonds

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

5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135905369) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135905369
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1cn2nc[nH]c(=O)c2c1C
InChIInChI=1S/C8H9N3O/c1-5-3-11-7(6(5)2)8(12)9-4-10-11/h3-4H,1-2H3,(H,9,10,12)
InChIKeySOECYEZAJRTTHT-UHFFFAOYSA-N
XLogP0.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135905369) is 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1cn2nc[nH]c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is SOECYEZAJRTTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-5-3-11-7(6(5)2)8(12)9-4-10-11/h3-4H,1-2H3,(H,9,10,12).
What are the key properties of 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 163.18 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135905369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).