6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C11H15N3O2 — CID 135847946

IUPAC6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCOc1cn2nc[nH]c(=O)c2c1C(C)C
InChIInChI=1S/C11H15N3O2/c1-4-16-8-5-14-10(9(8)7(2)3)11(15)12-6-13-14/h5-7H,4H2,1-3H3,(H,12,13,15)
InChIKeyOTJUNSZSHNNRSI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.54
Rot. Bonds3

About 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135847946) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135847946
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCOc1cn2nc[nH]c(=O)c2c1C(C)C
InChIInChI=1S/C11H15N3O2/c1-4-16-8-5-14-10(9(8)7(2)3)11(15)12-6-13-14/h5-7H,4H2,1-3H3,(H,12,13,15)
InChIKeyOTJUNSZSHNNRSI-UHFFFAOYSA-N
XLogP1.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[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
6-(Hydroxymethyl)-5-methoxypyrrolo[2,1-f][1,2,4]triazin-4-ol
CID 135601400
4-Hydroxy-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl 2,2-dimethylpropanoate
CID 135620569
6-(3-Chloropropoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CID 135998495
6-(2-hydroxypropan-2-yl)-5-methoxy-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135998496
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

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135847946) is 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is CCOc1cn2nc[nH]c(=O)c2c1C(C)C.
What is the InChIKey of 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is OTJUNSZSHNNRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-4-16-8-5-14-10(9(8)7(2)3)11(15)12-6-13-14/h5-7H,4H2,1-3H3,(H,12,13,15).
What are the key properties of 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 221.26 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135847946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).