2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol

C12H10N4OS — CID 136961960

IUPAC2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESCSc1nc2nccc(-c3ccccc3O)n2n1
InChIInChI=1S/C12H10N4OS/c1-18-12-14-11-13-7-6-9(16(11)15-12)8-4-2-3-5-10(8)17/h2-7,17H,1H3
InChIKeyRRIYOJVGNBFGSD-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.22
Rot. Bonds2

About 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol

2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol (PubChem CID 136961960) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol.

Molecular Properties

Compound Name2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
PubChem CID136961960
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol
SMILESCSc1nc2nccc(-c3ccccc3O)n2n1
InChIInChI=1S/C12H10N4OS/c1-18-12-14-11-13-7-6-9(16(11)15-12)8-4-2-3-5-10(8)17/h2-7,17H,1H3
InChIKeyRRIYOJVGNBFGSD-UHFFFAOYSA-N
XLogP2.22
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-Methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 4773323
2-Fluoro-4-[6-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
CID 1472930
2-(Methylsulfanyl)-7-(4-phenoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1482341
3-[[6-Methylsulfanyl-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
CID 118725832
2-[5-[Ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol
CID 155804541
5-Fluoro-2-(2-isobutyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl methyl ether
CID 71701277
2-Cyclobutyl-7-(4-fluoro-2-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 71707749
7-(4-Fluoro-2-methoxyphenyl)-2-(propan-2-YL)-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465598
7-(4-Fluoro-2-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 75465996
2-Imidazo[1,2-b]pyridazin-3-ylphenol
CID 136013476
2-(Tetrazolo[1,5-a]pyrimidin-7-yl)phenol
CID 137195718
2-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 135947977

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The IUPAC name of 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol (CID 136961960) is 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol.
What is the SMILES notation for 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The canonical SMILES for 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol is CSc1nc2nccc(-c3ccccc3O)n2n1.
What is the InChIKey of 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
The InChIKey is RRIYOJVGNBFGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-18-12-14-11-13-7-6-9(16(11)15-12)8-4-2-3-5-10(8)17/h2-7,17H,1H3.
What are the key properties of 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol?
2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol has a molecular weight of 258.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenol is sourced from PubChem (CID 136961960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).