4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine

C7H7ClN6S — CID 83240574

IUPAC4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine
SMILESCCc1nnsc1-c1nc(N)nc(Cl)n1
InChIInChI=1S/C7H7ClN6S/c1-2-3-4(15-14-13-3)5-10-6(8)12-7(9)11-5/h2H2,1H3,(H2,9,10,11,12)
InChIKeyHZZIWPYPLRLEGW-UHFFFAOYSA-N
MW242.69 g/mol
LogP1.19
Rot. Bonds2

About 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine

4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine (PubChem CID 83240574) has the molecular formula C7H7ClN6S and a molecular weight of 242.69 g/mol. Its IUPAC name is 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine
PubChem CID83240574
Molecular FormulaC7H7ClN6S
Molecular Weight242.69 g/mol
Exact Mass242.01
IUPAC Name4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine
SMILESCCc1nnsc1-c1nc(N)nc(Cl)n1
InChIInChI=1S/C7H7ClN6S/c1-2-3-4(15-14-13-3)5-10-6(8)12-7(9)11-5/h2H2,1H3,(H2,9,10,11,12)
InChIKeyHZZIWPYPLRLEGW-UHFFFAOYSA-N
XLogP1.19
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.69
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine (CID 83240574) is 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine is CCc1nnsc1-c1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine?
The InChIKey is HZZIWPYPLRLEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6S/c1-2-3-4(15-14-13-3)5-10-6(8)12-7(9)11-5/h2H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine has a molecular weight of 242.69 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-ethylthiadiazol-5-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).