2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C16H12N6 — CID 135262182

IUPAC2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc(-c2nc(Nc3ccncc3)c3cccn3n2)nc1
InChIInChI=1S/C16H12N6/c1-2-8-18-13(4-1)15-20-16(14-5-3-11-22(14)21-15)19-12-6-9-17-10-7-12/h1-11H,(H,17,19,20,21)
InChIKeyDXVXGQDTEZKMLS-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.93
Rot. Bonds3

About 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 135262182) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID135262182
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1ccc(-c2nc(Nc3ccncc3)c3cccn3n2)nc1
InChIInChI=1S/C16H12N6/c1-2-8-18-13(4-1)15-20-16(14-5-3-11-22(14)21-15)19-12-6-9-17-10-7-12/h1-11H,(H,17,19,20,21)
InChIKeyDXVXGQDTEZKMLS-UHFFFAOYSA-N
XLogP2.93
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 135262182) is 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is c1ccc(-c2nc(Nc3ccncc3)c3cccn3n2)nc1.
What is the InChIKey of 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is DXVXGQDTEZKMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-2-8-18-13(4-1)15-20-16(14-5-3-11-22(14)21-15)19-12-6-9-17-10-7-12/h1-11H,(H,17,19,20,21).
What are the key properties of 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 288.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 135262182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).