N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H12F2N6 — CID 135262129

IUPACN-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cccc(-c2nc(Nc3c(F)cncc3F)c3cccn3n2)n1
InChIInChI=1S/C17H12F2N6/c1-10-4-2-5-13(21-10)16-23-17(14-6-3-7-25(14)24-16)22-15-11(18)8-20-9-12(15)19/h2-9H,1H3,(H,20,22,23,24)
InChIKeyCHUUBNXHAJWANT-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.52
Rot. Bonds3

About N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 135262129) has the molecular formula C17H12F2N6 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID135262129
Molecular FormulaC17H12F2N6
Molecular Weight338.32 g/mol
Exact Mass338.11
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1cccc(-c2nc(Nc3c(F)cncc3F)c3cccn3n2)n1
InChIInChI=1S/C17H12F2N6/c1-10-4-2-5-13(21-10)16-23-17(14-6-3-7-25(14)24-16)22-15-11(18)8-20-9-12(15)19/h2-9H,1H3,(H,20,22,23,24)
InChIKeyCHUUBNXHAJWANT-UHFFFAOYSA-N
XLogP3.52
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 135262129) is N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1cccc(-c2nc(Nc3c(F)cncc3F)c3cccn3n2)n1.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is CHUUBNXHAJWANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N6/c1-10-4-2-5-13(21-10)16-23-17(14-6-3-7-25(14)24-16)22-15-11(18)8-20-9-12(15)19/h2-9H,1H3,(H,20,22,23,24).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 338.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 135262129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).