[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid

C5H8N6S2 — CID 3394692

IUPAC[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid
SMILESCc1nc(N)nc(NNC(=S)S)n1
InChIInChI=1S/C5H8N6S2/c1-2-7-3(6)9-4(8-2)10-11-5(12)13/h1H3,(H2,11,12,13)(H3,6,7,8,9,10)
InChIKeyGWQUCKDGGMZVKA-UHFFFAOYSA-N
MW216.29 g/mol
LogP-0.11
Rot. Bonds2

About [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid

[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid (PubChem CID 3394692) has the molecular formula C5H8N6S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid.

Molecular Properties

Compound Name[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid
PubChem CID3394692
Molecular FormulaC5H8N6S2
Molecular Weight216.29 g/mol
Exact Mass216.03
IUPAC Name[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid
SMILESCc1nc(N)nc(NNC(=S)S)n1
InChIInChI=1S/C5H8N6S2/c1-2-7-3(6)9-4(8-2)10-11-5(12)13/h1H3,(H2,11,12,13)(H3,6,7,8,9,10)
InChIKeyGWQUCKDGGMZVKA-UHFFFAOYSA-N
XLogP-0.11
TPSA88.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid?
The IUPAC name of [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid (CID 3394692) is [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid.
What is the SMILES notation for [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid?
The canonical SMILES for [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid is Cc1nc(N)nc(NNC(=S)S)n1.
What is the InChIKey of [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid?
The InChIKey is GWQUCKDGGMZVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6S2/c1-2-7-3(6)9-4(8-2)10-11-5(12)13/h1H3,(H2,11,12,13)(H3,6,7,8,9,10).
What are the key properties of [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid?
[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid has a molecular weight of 216.29 g/mol, XLogP of -0.11, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioic acid is sourced from PubChem (CID 3394692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).