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

C10H13N3O3 — CID 135998496

IUPAC6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1c(C(C)(C)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C10H13N3O3/c1-10(2,15)6-4-13-7(8(6)16-3)9(14)11-5-12-13/h4-5,15H,1-3H3,(H,11,12,14)
InChIKeyWEEIOOPLZPRNDB-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.26
Rot. Bonds2

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

6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135998496) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135998496
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCOc1c(C(C)(C)O)cn2nc[nH]c(=O)c12
InChIInChI=1S/C10H13N3O3/c1-10(2,15)6-4-13-7(8(6)16-3)9(14)11-5-12-13/h4-5,15H,1-3H3,(H,11,12,14)
InChIKeyWEEIOOPLZPRNDB-UHFFFAOYSA-N
XLogP0.26
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one 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-(Hydroxymethyl)-5-methoxy-4-oxopyrrolo[2,1-f][1,2,4]triazin-3-yl]methyl 2,2-dimethylpropanoate
CID 12985916
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-(2-Hydroxypropan-2-yl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
CID 135620568
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
5-methoxy-6-(4-methyl-1,3-dioxetan-2-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136619498
6-(1-hydroxyethenyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136619501
ethyl 5-methoxy-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;6-(hydroxymethyl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 161758345
Pyrrolo[2,1-f][1,2,4]triazin-4(1H)-one-2-14C, 6-(1-hydroxy-1-methylethyl)-5-methyl-
CID 136162484
6-(2-hydroxy(213C)propan-2-yl)-5-(113C)methyl-3H-(3,4-13C2,115N)pyrrolo[2,1-f](1,4-15N2)[1,2,4]triazin-4-one
CID 136162500
Methyl 4-hydroxy-5-methoxypyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CID 136303121

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135998496) is 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is COc1c(C(C)(C)O)cn2nc[nH]c(=O)c12.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is WEEIOOPLZPRNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-10(2,15)6-4-13-7(8(6)16-3)9(14)11-5-12-13/h4-5,15H,1-3H3,(H,11,12,14).
What are the key properties of 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 223.23 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135998496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).