(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol

C8H8N4OS — CID 105099110

IUPAC(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol
SMILESCc1nnsc1C(O)c1cnccn1
InChIInChI=1S/C8H8N4OS/c1-5-8(14-12-11-5)7(13)6-4-9-2-3-10-6/h2-4,7,13H,1H3
InChIKeyIENKTQSMMMHXHC-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.72
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol

(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol (PubChem CID 105099110) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol
PubChem CID105099110
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol
SMILESCc1nnsc1C(O)c1cnccn1
InChIInChI=1S/C8H8N4OS/c1-5-8(14-12-11-5)7(13)6-4-9-2-3-10-6/h2-4,7,13H,1H3
InChIKeyIENKTQSMMMHXHC-UHFFFAOYSA-N
XLogP0.72
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol?
The IUPAC name of (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol (CID 105099110) is (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol?
The canonical SMILES for (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol is Cc1nnsc1C(O)c1cnccn1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol?
The InChIKey is IENKTQSMMMHXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-5-8(14-12-11-5)7(13)6-4-9-2-3-10-6/h2-4,7,13H,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol?
(4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol has a molecular weight of 208.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 105099110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).