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

C21H16N6 — CID 126677289

IUPACN-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccnc4ccccc34)c3cccn3n2)n1
InChIInChI=1S/C21H16N6/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17/h2-13H,1H3,(H,22,24,25,26)
InChIKeyPOBTWEXPMBRQFA-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.39
Rot. Bonds3

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

N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine (PubChem CID 126677289) has the molecular formula C21H16N6 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine.

Molecular Properties

Compound NameN-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine
PubChem CID126677289
Molecular FormulaC21H16N6
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC NameN-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine
SMILESCc1cccc(-c2nc(Nc3ccnc4ccccc34)c3cccn3n2)n1
InChIInChI=1S/C21H16N6/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17/h2-13H,1H3,(H,22,24,25,26)
InChIKeyPOBTWEXPMBRQFA-UHFFFAOYSA-N
XLogP4.39
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine?
The IUPAC name of N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine (CID 126677289) is N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine.
What is the SMILES notation for N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine?
The canonical SMILES for N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine is Cc1cccc(-c2nc(Nc3ccnc4ccccc34)c3cccn3n2)n1.
What is the InChIKey of N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine?
The InChIKey is POBTWEXPMBRQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17/h2-13H,1H3,(H,22,24,25,26).
What are the key properties of N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine?
N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-2-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine is sourced from PubChem (CID 126677289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).