4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol

C13H12N6OS — CID 114476721

IUPAC4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol
SMILESCc1ncc(Sc2nnnn2-c2ccc(O)cc2)nc1C
InChIInChI=1S/C13H12N6OS/c1-8-9(2)15-12(7-14-8)21-13-16-17-18-19(13)10-3-5-11(20)6-4-10/h3-7,20H,1-2H3
InChIKeyOISDYOZHIVUADP-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.93
Rot. Bonds3

About 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol

4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol (PubChem CID 114476721) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol
PubChem CID114476721
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol
SMILESCc1ncc(Sc2nnnn2-c2ccc(O)cc2)nc1C
InChIInChI=1S/C13H12N6OS/c1-8-9(2)15-12(7-14-8)21-13-16-17-18-19(13)10-3-5-11(20)6-4-10/h3-7,20H,1-2H3
InChIKeyOISDYOZHIVUADP-UHFFFAOYSA-N
XLogP1.93
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol?
The IUPAC name of 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol (CID 114476721) is 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol is Cc1ncc(Sc2nnnn2-c2ccc(O)cc2)nc1C.
What is the InChIKey of 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol?
The InChIKey is OISDYOZHIVUADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-8-9(2)15-12(7-14-8)21-13-16-17-18-19(13)10-3-5-11(20)6-4-10/h3-7,20H,1-2H3.
What are the key properties of 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol?
4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol has a molecular weight of 300.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5,6-dimethylpyrazin-2-yl)sulfanyltetrazol-1-yl]phenol is sourced from PubChem (CID 114476721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).