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

C19H19N7O — CID 155512654

IUPAC5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCOCC3)c12
InChIInChI=1S/C19H19N7O/c20-19-18-15(16-3-7-23-25(16)14-4-8-27-9-5-14)10-17(26(18)24-12-22-19)13-2-1-6-21-11-13/h1-3,6-7,10-12,14H,4-5,8-9H2,(H2,20,22,24)
InChIKeyRMYRCCPKKWUBOU-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.59
Rot. Bonds3

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

5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155512654) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155512654
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCOCC3)c12
InChIInChI=1S/C19H19N7O/c20-19-18-15(16-3-7-23-25(16)14-4-8-27-9-5-14)10-17(26(18)24-12-22-19)13-2-1-6-21-11-13/h1-3,6-7,10-12,14H,4-5,8-9H2,(H2,20,22,24)
InChIKeyRMYRCCPKKWUBOU-UHFFFAOYSA-N
XLogP2.59
TPSA96.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155512654) is 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(-c3cccnc3)cc(-c3ccnn3C3CCOCC3)c12.
What is the InChIKey of 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is RMYRCCPKKWUBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c20-19-18-15(16-3-7-23-25(16)14-4-8-27-9-5-14)10-17(26(18)24-12-22-19)13-2-1-6-21-11-13/h1-3,6-7,10-12,14H,4-5,8-9H2,(H2,20,22,24).
What are the key properties of 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 361.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155512654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).