[(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate

C13H18N4O4 — CID 136928858

IUPAC[(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate
SMILESCc1c(OC[C@@H](C)OC(=O)[C@@H](C)N)cn2nc[nH]c(=O)c12
InChIInChI=1S/C13H18N4O4/c1-7(21-13(19)9(3)14)5-20-10-4-17-11(8(10)2)12(18)15-6-16-17/h4,6-7,9H,5,14H2,1-3H3,(H,15,16,18)/t7-,9-/m1/s1
InChIKeyOGTUUPRUQFIQNK-VXNVDRBHSA-N
MW294.31 g/mol
LogP-0.01
Rot. Bonds5

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

[(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate (PubChem CID 136928858) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate
PubChem CID136928858
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name[(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate
SMILESCc1c(OC[C@@H](C)OC(=O)[C@@H](C)N)cn2nc[nH]c(=O)c12
InChIInChI=1S/C13H18N4O4/c1-7(21-13(19)9(3)14)5-20-10-4-17-11(8(10)2)12(18)15-6-16-17/h4,6-7,9H,5,14H2,1-3H3,(H,15,16,18)/t7-,9-/m1/s1
InChIKeyOGTUUPRUQFIQNK-VXNVDRBHSA-N
XLogP-0.01
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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-(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
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
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
5-methyl-6-(3-piperidin-1-ylpropoxy)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136346166

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate?
The IUPAC name of [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate (CID 136928858) is [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate.
What is the SMILES notation for [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate?
The canonical SMILES for [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate is Cc1c(OC[C@@H](C)OC(=O)[C@@H](C)N)cn2nc[nH]c(=O)c12.
What is the InChIKey of [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate?
The InChIKey is OGTUUPRUQFIQNK-VXNVDRBHSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-7(21-13(19)9(3)14)5-20-10-4-17-11(8(10)2)12(18)15-6-16-17/h4,6-7,9H,5,14H2,1-3H3,(H,15,16,18)/t7-,9-/m1/s1.
What are the key properties of [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate?
[(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate has a molecular weight of 294.31 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazin-6-yl)oxy]propan-2-yl] (2R)-2-aminopropanoate is sourced from PubChem (CID 136928858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).