5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C19H19N7 — CID 155520386

IUPAC5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCCC3)c12
InChIInChI=1S/C19H19N7/c20-19-18-15(16-7-9-23-25(16)14-5-1-2-6-14)10-17(26(18)24-12-22-19)13-4-3-8-21-11-13/h3-4,7-12,14H,1-2,5-6H2,(H2,20,22,24)
InChIKeyWIVSXEQBKDDZCJ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.35
Rot. Bonds3

About 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155520386) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155520386
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCCC3)c12
InChIInChI=1S/C19H19N7/c20-19-18-15(16-7-9-23-25(16)14-5-1-2-6-14)10-17(26(18)24-12-22-19)13-4-3-8-21-11-13/h3-4,7-12,14H,1-2,5-6H2,(H2,20,22,24)
InChIKeyWIVSXEQBKDDZCJ-UHFFFAOYSA-N
XLogP3.35
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155520386) is 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCCC3)c12.
What is the InChIKey of 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is WIVSXEQBKDDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c20-19-18-15(16-7-9-23-25(16)14-5-1-2-6-14)10-17(26(18)24-12-22-19)13-4-3-8-21-11-13/h3-4,7-12,14H,1-2,5-6H2,(H2,20,22,24).
What are the key properties of 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylpyrazol-3-yl)-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155520386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).