6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine

C5H5N7S — CID 112681501

IUPAC6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2csnn2)n1
InChIInChI=1S/C5H5N7S/c6-4-8-3(9-5(7)10-4)2-1-13-12-11-2/h1H,(H4,6,7,8,9,10)
InChIKeyUEINBYXMKVAEBL-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.45
Rot. Bonds1

About 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine

6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 112681501) has the molecular formula C5H5N7S and a molecular weight of 195.21 g/mol. Its IUPAC name is 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID112681501
Molecular FormulaC5H5N7S
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2csnn2)n1
InChIInChI=1S/C5H5N7S/c6-4-8-3(9-5(7)10-4)2-1-13-12-11-2/h1H,(H4,6,7,8,9,10)
InChIKeyUEINBYXMKVAEBL-UHFFFAOYSA-N
XLogP-0.45
TPSA116.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine (CID 112681501) is 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2csnn2)n1.
What is the InChIKey of 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UEINBYXMKVAEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N7S/c6-4-8-3(9-5(7)10-4)2-1-13-12-11-2/h1H,(H4,6,7,8,9,10).
What are the key properties of 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine?
6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 195.21 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiadiazol-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112681501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).