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

C12H15N3O3 — CID 135620569

IUPAC(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate
SMILESCc1c(OC(=O)C(C)(C)C)cn2nc[nH]c(=O)c12
InChIInChI=1S/C12H15N3O3/c1-7-8(18-11(17)12(2,3)4)5-15-9(7)10(16)13-6-14-15/h5-6H,1-4H3,(H,13,14,16)
InChIKeyFCJBZRJUGDJGRW-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.28
Rot. Bonds1

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

(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate (PubChem CID 135620569) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate
PubChem CID135620569
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate
SMILESCc1c(OC(=O)C(C)(C)C)cn2nc[nH]c(=O)c12
InChIInChI=1S/C12H15N3O3/c1-7-8(18-11(17)12(2,3)4)5-15-9(7)10(16)13-6-14-15/h5-6H,1-4H3,(H,13,14,16)
InChIKeyFCJBZRJUGDJGRW-UHFFFAOYSA-N
XLogP1.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate 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-methyl-6-[2-(1,2,4-triazol-1-yl)ethoxy]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135601399
6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135847946
(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
5-methyl-6-phosphanyloxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136186058
6-(3-Methanesulfonyl-propoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-ol
CID 136346146
N-[3-(4-hydroxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-propyl]-methanesulfonamide
CID 136346155

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate?
The IUPAC name of (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate (CID 135620569) is (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate is Cc1c(OC(=O)C(C)(C)C)cn2nc[nH]c(=O)c12.
What is the InChIKey of (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate?
The InChIKey is FCJBZRJUGDJGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-8(18-11(17)12(2,3)4)5-15-9(7)10(16)13-6-14-15/h5-6H,1-4H3,(H,13,14,16).
What are the key properties of (5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate?
(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl) 2,2-dimethylpropanoate has a molecular weight of 249.27 g/mol, XLogP of 1.28, 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) 2,2-dimethylpropanoate is sourced from PubChem (CID 135620569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).