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

C6H5N3O — CID 135488218

IUPAC3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2cccc12
InChIInChI=1S/C6H5N3O/c10-6-5-2-1-3-9(5)8-4-7-6/h1-4H,(H,7,8,10)
InChIKeyVYEHSYWBLDTUHX-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.02
Rot. Bonds

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

3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135488218) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135488218
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2cccc12
InChIInChI=1S/C6H5N3O/c10-6-5-2-1-3-9(5)8-4-7-6/h1-4H,(H,7,8,10)
InChIKeyVYEHSYWBLDTUHX-UHFFFAOYSA-N
XLogP0.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridinecarboxamide
CID 15070
9-Deazahypoxanthine
CID 135488881
1H-pyrrole-2-carboxamide
CID 573553
N-phenyl-1H-pyrrole-2-carboxamide
CID 899774
N-propargyl-1H-pyrrole-2-carboxamide
CID 16110305
6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one
CID 638578
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
1H,2H-pyrrolo[1,2-d][1,2,4]triazin-1-one
CID 3240920
N-methylpyridine-2-carboxamide
CID 12272691
Peramine
CID 114748
N-methyl-N-(prop-2-yn-1-yl)-1H-pyrrole-2-carboxamide
CID 11008237
N-cyclohexyl-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl)acetamide
CID 22514504

Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135488218) is 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1[nH]cnn2cccc12.
What is the InChIKey of 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is VYEHSYWBLDTUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-6-5-2-1-3-9(5)8-4-7-6/h1-4H,(H,7,8,10).
What are the key properties of 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 135.13 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135488218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).