N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H13FN6 — CID 135262410

IUPACN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1
InChIInChI=1S/C17H13FN6/c1-11-4-2-5-14(20-11)16-22-17(15-6-3-9-24(15)23-16)21-13-7-8-19-10-12(13)18/h2-10H,1H3,(H,19,21,22,23)
InChIKeySLMLHNHQKOPWPC-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.38
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 135262410) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID135262410
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1
InChIInChI=1S/C17H13FN6/c1-11-4-2-5-14(20-11)16-22-17(15-6-3-9-24(15)23-16)21-13-7-8-19-10-12(13)18/h2-10H,1H3,(H,19,21,22,23)
InChIKeySLMLHNHQKOPWPC-UHFFFAOYSA-N
XLogP3.38
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 135262410) is N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cccc(-c2nc(Nc3ccncc3F)c3cccn3n2)n1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is SLMLHNHQKOPWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c1-11-4-2-5-14(20-11)16-22-17(15-6-3-9-24(15)23-16)21-13-7-8-19-10-12(13)18/h2-10H,1H3,(H,19,21,22,23).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 320.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 135262410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).