(2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol

C14H13N3O2S — CID 66711148

IUPAC(2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol
SMILESCS(=O)c1ncc2ccc(C(O)c3ccccc3)n2n1
InChIInChI=1S/C14H13N3O2S/c1-20(19)14-15-9-11-7-8-12(17(11)16-14)13(18)10-5-3-2-4-6-10/h2-9,13,18H,1H3
InChIKeyYBGWKHAJRKKVAE-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.55
Rot. Bonds3

About (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol

(2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol (PubChem CID 66711148) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol.

Molecular Properties

Compound Name(2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol
PubChem CID66711148
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name(2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol
SMILESCS(=O)c1ncc2ccc(C(O)c3ccccc3)n2n1
InChIInChI=1S/C14H13N3O2S/c1-20(19)14-15-9-11-7-8-12(17(11)16-14)13(18)10-5-3-2-4-6-10/h2-9,13,18H,1H3
InChIKeyYBGWKHAJRKKVAE-UHFFFAOYSA-N
XLogP1.55
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.55
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
1-[4-Amino-5-[3,5-difluoro-4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol
CID 71187115
[3-(3-Phenylimidazo [1,2-b]pyridazin-6-yl)phenyl] methanol
CID 126672898
[6-fluoro-4-[(3-methyl-2H-pyrrol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-fluorophenyl)methanol
CID 58494353
1-[4-Amino-5-(3-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanol
CID 141191653
(3-Ethylsulfanylimidazo[1,5-a]pyridin-5-yl)-phenylmethanol
CID 12624796
2-Methyl-1-(3-phenylimidazo[1,2-b]pyridazin-2-yl)propan-1-ol
CID 134960773
{3-[2-(Methylthio)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl](phenyl)methanol
CID 10315728
{Imidazo[1,5-a]pyridin-5-yl}(phenyl)methanol
CID 12624797
[4-(Hydroxymethyl)-7-methylpyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
CID 57859597
2,6-Dimethyl-1,9,11-triazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,8,10-pentaen-7-ol
CID 57859598
1-(2-Methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)pentan-1-ol
CID 58071285

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol?
The IUPAC name of (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol (CID 66711148) is (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol.
What is the SMILES notation for (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol?
The canonical SMILES for (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol is CS(=O)c1ncc2ccc(C(O)c3ccccc3)n2n1.
What is the InChIKey of (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol?
The InChIKey is YBGWKHAJRKKVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-20(19)14-15-9-11-7-8-12(17(11)16-14)13(18)10-5-3-2-4-6-10/h2-9,13,18H,1H3.
What are the key properties of (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol?
(2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol has a molecular weight of 287.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfinylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenylmethanol is sourced from PubChem (CID 66711148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).