2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine

C7H11N5S — CID 130532811

IUPAC2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NC2CCSC2)n1
InChIInChI=1S/C7H11N5S/c8-6-9-4-10-7(12-6)11-5-1-2-13-3-5/h4-5H,1-3H2,(H3,8,9,10,11,12)
InChIKeyRXOPJTFYLNCMHF-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.37
Rot. Bonds2

About 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine

2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 130532811) has the molecular formula C7H11N5S and a molecular weight of 197.27 g/mol. Its IUPAC name is 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine
PubChem CID130532811
Molecular FormulaC7H11N5S
Molecular Weight197.27 g/mol
Exact Mass197.07
IUPAC Name2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine
SMILESNc1ncnc(NC2CCSC2)n1
InChIInChI=1S/C7H11N5S/c8-6-9-4-10-7(12-6)11-5-1-2-13-3-5/h4-5H,1-3H2,(H3,8,9,10,11,12)
InChIKeyRXOPJTFYLNCMHF-UHFFFAOYSA-N
XLogP0.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine (CID 130532811) is 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine is Nc1ncnc(NC2CCSC2)n1.
What is the InChIKey of 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is RXOPJTFYLNCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5S/c8-6-9-4-10-7(12-6)11-5-1-2-13-3-5/h4-5H,1-3H2,(H3,8,9,10,11,12).
What are the key properties of 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine?
2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 197.27 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(thiolan-3-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).