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

C9H9N3O3 — CID 136619501

IUPAC6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESC=C(O)c1cn2nc[nH]c(=O)c2c1OC
InChIInChI=1S/C9H9N3O3/c1-5(13)6-3-12-7(8(6)15-2)9(14)10-4-11-12/h3-4,13H,1H2,2H3,(H,10,11,14)
InChIKeySABRFHSKKKTCGW-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.56
Rot. Bonds2

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

6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 136619501) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID136619501
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESC=C(O)c1cn2nc[nH]c(=O)c2c1OC
InChIInChI=1S/C9H9N3O3/c1-5(13)6-3-12-7(8(6)15-2)9(14)10-4-11-12/h3-4,13H,1H2,2H3,(H,10,11,14)
InChIKeySABRFHSKKKTCGW-UHFFFAOYSA-N
XLogP0.56
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[6-(Hydroxymethyl)-5-methoxy-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]methyl 2,2-dimethylpropanoate
CID 12985916
8-Methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 58009752
2-Ethyl-8-methoxy-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 123231567
8-methoxy-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-7-carboxylic acid
CID 123623589
1-(2-Aminoethyl)-3-methoxypyrrole-2,4-dicarboxylic acid
CID 123699979
5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 135550694
6-(Hydroxymethyl)-5-methoxypyrrolo[2,1-f][1,2,4]triazin-4-ol
CID 135601400
6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135847946
Ethyl 4-hydroxy-5-methoxypyrrolo[2,1-F][1,2,4]triazine-6-carboxylate
CID 135905324
6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135998496
6-Hydroxy-5-methoxypyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CID 135998498
5-methoxy-6-(4-methyl-1,3-dioxetan-2-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136619498

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 136619501) is 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is C=C(O)c1cn2nc[nH]c(=O)c2c1OC.
What is the InChIKey of 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is SABRFHSKKKTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5(13)6-3-12-7(8(6)15-2)9(14)10-4-11-12/h3-4,13H,1H2,2H3,(H,10,11,14).
What are the key properties of 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 207.19 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 136619501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).