2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione

C7H8N6S — CID 103123802

IUPAC2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione
SMILESCn1ccc(-c2nc(=S)nc(N)[nH]2)n1
InChIInChI=1S/C7H8N6S/c1-13-3-2-4(12-13)5-9-6(8)11-7(14)10-5/h2-3H,1H3,(H3,8,9,10,11,14)
InChIKeyRGBJIXVUZSZUDX-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.52
Rot. Bonds1

About 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione

2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione (PubChem CID 103123802) has the molecular formula C7H8N6S and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione
PubChem CID103123802
Molecular FormulaC7H8N6S
Molecular Weight208.25 g/mol
Exact Mass208.05
IUPAC Name2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione
SMILESCn1ccc(-c2nc(=S)nc(N)[nH]2)n1
InChIInChI=1S/C7H8N6S/c1-13-3-2-4(12-13)5-9-6(8)11-7(14)10-5/h2-3H,1H3,(H3,8,9,10,11,14)
InChIKeyRGBJIXVUZSZUDX-UHFFFAOYSA-N
XLogP0.52
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
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 ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione (CID 103123802) is 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione is Cn1ccc(-c2nc(=S)nc(N)[nH]2)n1.
What is the InChIKey of 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione?
The InChIKey is RGBJIXVUZSZUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6S/c1-13-3-2-4(12-13)5-9-6(8)11-7(14)10-5/h2-3H,1H3,(H3,8,9,10,11,14).
What are the key properties of 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione?
2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione has a molecular weight of 208.25 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-methylpyrazol-3-yl)-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 103123802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).