[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol

C14H13N3OS — CID 66712309

IUPAC[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol
SMILESCSc1ncc2ccc(-c3cccc(CO)c3)n2n1
InChIInChI=1S/C14H13N3OS/c1-19-14-15-8-12-5-6-13(17(12)16-14)11-4-2-3-10(7-11)9-18/h2-8,18H,9H2,1H3
InChIKeyGIKABOYEEXOHDX-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.61
Rot. Bonds3

About [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol

[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol (PubChem CID 66712309) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol
PubChem CID66712309
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol
SMILESCSc1ncc2ccc(-c3cccc(CO)c3)n2n1
InChIInChI=1S/C14H13N3OS/c1-19-14-15-8-12-5-6-13(17(12)16-14)11-4-2-3-10(7-11)9-18/h2-8,18H,9H2,1H3
InChIKeyGIKABOYEEXOHDX-UHFFFAOYSA-N
XLogP2.61
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
[4-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672911
4-[4-Amino-5-[4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]butan-1-ol
CID 71187424
[3-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155534735
(2-(Imidazo[1,2-b]pyridazin-3-yl)phenyl)methanol
CID 49790546
[4-[3-[3-(Hydroxymethyl) phenyl]imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126672786
[3-[6-(4-Methylsulfonyl-phenyl)imidazo [1,2-b]pyridazin-3-yl]phenyl] methanol
CID 126672891
[3-(6-Phenylimidazo [1,2-b]pyridazin-3-yl)phenyl] methanol
CID 126672925
[3-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673064
[4-(4-Amino-7-propylpyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]methanol
CID 71187199
US10214537, Example 7
CID 132209867
[3-[3-(3-Fluoroanilino)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
CID 134805372

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol?
The IUPAC name of [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol (CID 66712309) is [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol.
What is the SMILES notation for [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol?
The canonical SMILES for [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol is CSc1ncc2ccc(-c3cccc(CO)c3)n2n1.
What is the InChIKey of [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol?
The InChIKey is GIKABOYEEXOHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-19-14-15-8-12-5-6-13(17(12)16-14)11-4-2-3-10(7-11)9-18/h2-8,18H,9H2,1H3.
What are the key properties of [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol?
[3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol has a molecular weight of 271.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol is sourced from PubChem (CID 66712309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).