N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C16H10F2N6 — CID 126499651

IUPACN-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1ccc(-c2nc(Nc3ccncc3F)c3cccn3n2)nc1
InChIInChI=1S/C16H10F2N6/c17-10-3-4-13(20-8-10)15-22-16(14-2-1-7-24(14)23-15)21-12-5-6-19-9-11(12)18/h1-9H,(H,19,21,22,23)
InChIKeyMGCYGWOVPKUJBC-UHFFFAOYSA-N
MW324.29 g/mol
LogP3.21
Rot. Bonds3

About N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126499651) has the molecular formula C16H10F2N6 and a molecular weight of 324.29 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126499651
Molecular FormulaC16H10F2N6
Molecular Weight324.29 g/mol
Exact Mass324.09
IUPAC NameN-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFc1ccc(-c2nc(Nc3ccncc3F)c3cccn3n2)nc1
InChIInChI=1S/C16H10F2N6/c17-10-3-4-13(20-8-10)15-22-16(14-2-1-7-24(14)23-15)21-12-5-6-19-9-11(12)18/h1-9H,(H,19,21,22,23)
InChIKeyMGCYGWOVPKUJBC-UHFFFAOYSA-N
XLogP3.21
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

N-(3-fluoro-4-pyridinyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499823
N-[5-fluoro-4-[[2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide
CID 126484185
1-[6-[4-[(3-fluoro-4-pyridinyl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-pyridinyl]ethanone
CID 126499747
N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)-5-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126484445
N-(3-methyl-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 135271389
N-[3-(difluoromethyl)-4-pyridinyl]-2-(6-methoxy-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 135262249
1-[4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-3-pyridinyl]ethenol
CID 126499469
methyl 4-[[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxylate
CID 126499612
N-(3-fluoro-4-pyridinyl)-2-pyridin-2-yl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126484409
N-(3-fluoro-4-pyridinyl)-5-(5-methylhex-2-ynyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 126499741
4-[[4-[(3-fluoro-4-pyridinyl)amino]-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]butan-2-ol
CID 126484423
4-[[2-[6-(difluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N-(1H-pyrazol-5-ylmethyl)pyridine-3-carboxamide
CID 126484378

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126499651) is N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Fc1ccc(-c2nc(Nc3ccncc3F)c3cccn3n2)nc1.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MGCYGWOVPKUJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N6/c17-10-3-4-13(20-8-10)15-22-16(14-2-1-7-24(14)23-15)21-12-5-6-19-9-11(12)18/h1-9H,(H,19,21,22,23).
What are the key properties of N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3-fluoro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 324.29 g/mol, XLogP of 3.21, 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-(5-fluoro-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126499651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).