3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine

C7H8N6S — CID 130987471

IUPAC3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NCc1csnn1
InChIInChI=1S/C7H8N6S/c8-6-7(10-2-1-9-6)11-3-5-4-14-13-12-5/h1-2,4H,3H2,(H2,8,9)(H,10,11)
InChIKeyHGXIRKGMMKCQOI-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.52
Rot. Bonds3

About 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine

3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine (PubChem CID 130987471) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine
PubChem CID130987471
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine
SMILESNc1nccnc1NCc1csnn1
InChIInChI=1S/C7H8N6S/c8-6-7(10-2-1-9-6)11-3-5-4-14-13-12-5/h1-2,4H,3H2,(H2,8,9)(H,10,11)
InChIKeyHGXIRKGMMKCQOI-UHFFFAOYSA-N
XLogP0.52
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine?
The IUPAC name of 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine (CID 130987471) is 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine?
The canonical SMILES for 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine is Nc1nccnc1NCc1csnn1.
What is the InChIKey of 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine?
The InChIKey is HGXIRKGMMKCQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c8-6-7(10-2-1-9-6)11-3-5-4-14-13-12-5/h1-2,4H,3H2,(H2,8,9)(H,10,11).
What are the key properties of 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine?
3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine has a molecular weight of 208.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(thiadiazol-4-ylmethyl)pyrazine-2,3-diamine is sourced from PubChem (CID 130987471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).