(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate

C9H9N3O3 — CID 174486750

IUPAC(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate
SMILESCC(=O)Oc1cn2nc[nH]c(=O)c2c1C
InChIInChI=1S/C9H9N3O3/c1-5-7(15-6(2)13)3-12-8(5)9(14)10-4-11-12/h3-4H,1-2H3,(H,10,11,14)
InChIKeyHPXQSNXBTGNECH-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.26
Rot. Bonds1

About (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate

(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate (PubChem CID 174486750) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate.

Molecular Properties

Compound Name(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate
PubChem CID174486750
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate
SMILESCC(=O)Oc1cn2nc[nH]c(=O)c2c1C
InChIInChI=1S/C9H9N3O3/c1-5-7(15-6(2)13)3-12-8(5)9(14)10-4-11-12/h3-4H,1-2H3,(H,10,11,14)
InChIKeyHPXQSNXBTGNECH-UHFFFAOYSA-N
XLogP0.26
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-Formyloxy-5-methoxy-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl)methyl 2,2-dimethylpropanoate
CID 12985918
[5-Carbamoyl-4-methyl-1-(methylamino)pyrrol-3-yl] 2,2-dimethylpropanoate
CID 68364206
6-Hydroxy-5-methylpyrrolo[2,1-F][1,2,4]triazin-4(3H)-one
CID 135503116
6-(Benzyloxy)-5-methylpyrrolo[2,1-F][1,2,4]triazin-4(3H)-one
CID 135509921
5-methoxy-6-phenylmethoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135550695
5-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135601399
4-Hydroxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl 2,2-dimethylpropanoate
CID 135620569
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
(7-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-5-yl) acetate
CID 135979790
6-(3-Chloropropoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CID 135998495
6-(3-Chloropropoxy)-5-methoxypyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CID 135998497

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate?
The IUPAC name of (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate (CID 174486750) is (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate.
What is the SMILES notation for (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate?
The canonical SMILES for (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate is CC(=O)Oc1cn2nc[nH]c(=O)c2c1C.
What is the InChIKey of (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate?
The InChIKey is HPXQSNXBTGNECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-5-7(15-6(2)13)3-12-8(5)9(14)10-4-11-12/h3-4H,1-2H3,(H,10,11,14).
What are the key properties of (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate?
(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate has a molecular weight of 207.19 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) acetate is sourced from PubChem (CID 174486750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).