4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine

C19H21N3O2S — CID 145263724

IUPAC4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2c(C3CCC(COCc4ccccc4)O3)ccc12
InChIInChI=1S/C19H21N3O2S/c1-25-19-17-9-8-16(22(17)21-13-20-19)18-10-7-15(24-18)12-23-11-14-5-3-2-4-6-14/h2-6,8-9,13,15,18H,7,10-12H2,1H3
InChIKeyMGBLAPAJDMGFBR-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.89
Rot. Bonds6

About 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine

4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 145263724) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
PubChem CID145263724
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncnn2c(C3CCC(COCc4ccccc4)O3)ccc12
InChIInChI=1S/C19H21N3O2S/c1-25-19-17-9-8-16(22(17)21-13-20-19)18-10-7-15(24-18)12-23-11-14-5-3-2-4-6-14/h2-6,8-9,13,15,18H,7,10-12H2,1H3
InChIKeyMGBLAPAJDMGFBR-UHFFFAOYSA-N
XLogP3.89
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine with MolForge

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Related Compounds

7-[[5-(4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy]quinoline
CID 166776434
4-chloro-7-[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine
CID 144588953
7-[(2S,3S,5S)-3-fluoro-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylsulfanylimidazo[2,1-f][1,2,4]triazine
CID 155222822
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl benzoate;ethane
CID 169174536
7-[(3S,4R,5R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-4-methylpyrrolo[2,1-f][1,2,4]triazine
CID 163997566
[(2S,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl acetate
CID 166531010
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
ethyl 2-[[[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]-3-phenylpropanoate
CID 145074550
ethane;formonitrile;[5-[4-(methylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]oxolan-2-yl]methyl hydrogen carbonate
CID 169175053
[5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 142386433
2-(4-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 123881018
7-[5-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 167227993

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine (CID 145263724) is 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is CSc1ncnn2c(C3CCC(COCc4ccccc4)O3)ccc12.
What is the InChIKey of 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is MGBLAPAJDMGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-25-19-17-9-8-16(22(17)21-13-20-19)18-10-7-15(24-18)12-23-11-14-5-3-2-4-6-14/h2-6,8-9,13,15,18H,7,10-12H2,1H3.
What are the key properties of 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine?
4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 355.46 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-7-[5-(phenylmethoxymethyl)oxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 145263724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).