2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H14N6 — CID 126499376

IUPAC2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1
InChIInChI=1S/C17H14N6/c1-12-4-2-5-14(19-12)16-21-17(15-6-3-11-23(15)22-16)20-13-7-9-18-10-8-13/h2-11H,1H3,(H,18,20,21,22)
InChIKeyBYPWTZRGWLOOAC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.24
Rot. Bonds3

About 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499376) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499376
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1
InChIInChI=1S/C17H14N6/c1-12-4-2-5-14(19-12)16-21-17(15-6-3-11-23(15)22-16)20-13-7-9-18-10-8-13/h2-11H,1H3,(H,18,20,21,22)
InChIKeyBYPWTZRGWLOOAC-UHFFFAOYSA-N
XLogP3.24
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499376) is 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cccc(-c2nc(Nc3ccncc3)c3cccn3n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is BYPWTZRGWLOOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-12-4-2-5-14(19-12)16-21-17(15-6-3-11-23(15)22-16)20-13-7-9-18-10-8-13/h2-11H,1H3,(H,18,20,21,22).
What are the key properties of 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).