5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol

C15H16N4O — CID 10199254

IUPAC5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol
SMILESCc1ccc(Nc2ncnn3cc(C)c(C)c23)cc1O
InChIInChI=1S/C15H16N4O/c1-9-4-5-12(6-13(9)20)18-15-14-11(3)10(2)7-19(14)17-8-16-15/h4-8,20H,1-3H3,(H,16,17,18)
InChIKeyNSSREJILCYZENK-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.10
Rot. Bonds2

About 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol

5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol (PubChem CID 10199254) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol.

Molecular Properties

Compound Name5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol
PubChem CID10199254
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol
SMILESCc1ccc(Nc2ncnn3cc(C)c(C)c23)cc1O
InChIInChI=1S/C15H16N4O/c1-9-4-5-12(6-13(9)20)18-15-14-11(3)10(2)7-19(14)17-8-16-15/h4-8,20H,1-3H3,(H,16,17,18)
InChIKeyNSSREJILCYZENK-UHFFFAOYSA-N
XLogP3.10
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol?
The IUPAC name of 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol (CID 10199254) is 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol.
What is the SMILES notation for 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol?
The canonical SMILES for 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol is Cc1ccc(Nc2ncnn3cc(C)c(C)c23)cc1O.
What is the InChIKey of 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol?
The InChIKey is NSSREJILCYZENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-4-5-12(6-13(9)20)18-15-14-11(3)10(2)7-19(14)17-8-16-15/h4-8,20H,1-3H3,(H,16,17,18).
What are the key properties of 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol?
5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol has a molecular weight of 268.32 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,6-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-methylphenol is sourced from PubChem (CID 10199254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).