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

C7H7N3O2 — CID 135503116

IUPAC6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C7H7N3O2/c1-4-5(11)2-10-6(4)7(12)8-3-9-10/h2-3,11H,1H3,(H,8,9,12)
InChIKeyPCWSBYIKVFVFGS-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.04
Rot. Bonds

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

6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135503116) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135503116
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCc1c(O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C7H7N3O2/c1-4-5(11)2-10-6(4)7(12)8-3-9-10/h2-3,11H,1H3,(H,8,9,12)
InChIKeyPCWSBYIKVFVFGS-UHFFFAOYSA-N
XLogP0.04
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135503116) is 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is Cc1c(O)cn2nc[nH]c(=O)c12.
What is the InChIKey of 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is PCWSBYIKVFVFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-4-5(11)2-10-6(4)7(12)8-3-9-10/h2-3,11H,1H3,(H,8,9,12).
What are the key properties of 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 165.15 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135503116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).