6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C18H15N5O2S — CID 91664348

IUPAC6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1
InChIInChI=1S/C18H15N5O2S/c1-26(24,25)16-4-2-13(3-5-16)14-10-17-18(20-12-21-23(17)11-14)22-15-6-8-19-9-7-15/h2-12H,1H3,(H,19,20,21,22)
InChIKeyTVEZMOFHBJTSJU-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.94
Rot. Bonds4

About 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 91664348) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID91664348
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1
InChIInChI=1S/C18H15N5O2S/c1-26(24,25)16-4-2-13(3-5-16)14-10-17-18(20-12-21-23(17)11-14)22-15-6-8-19-9-7-15/h2-12H,1H3,(H,19,20,21,22)
InChIKeyTVEZMOFHBJTSJU-UHFFFAOYSA-N
XLogP2.94
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 91664348) is 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CS(=O)(=O)c1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1.
What is the InChIKey of 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is TVEZMOFHBJTSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-26(24,25)16-4-2-13(3-5-16)14-10-17-18(20-12-21-23(17)11-14)22-15-6-8-19-9-7-15/h2-12H,1H3,(H,19,20,21,22).
What are the key properties of 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 365.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylphenyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 91664348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).