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

C5H7N6S2- — CID 3394691

IUPACN-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate
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)/p-1
InChIKeyGWQUCKDGGMZVKA-UHFFFAOYSA-M
MW215.29 g/mol
LogP-0.49
Rot. Bonds2

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

N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate (PubChem CID 3394691) has the molecular formula C5H7N6S2- and a molecular weight of 215.29 g/mol. Its IUPAC name is N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate.

Molecular Properties

Compound NameN-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate
PubChem CID3394691
Molecular FormulaC5H7N6S2-
Molecular Weight215.29 g/mol
Exact Mass215.02
IUPAC NameN-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate
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)/p-1
InChIKeyGWQUCKDGGMZVKA-UHFFFAOYSA-M
XLogP-0.49
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate?
The IUPAC name of N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate (CID 3394691) is N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate.
What is the SMILES notation for N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate?
The canonical SMILES for N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate is Cc1nc(N)nc(NNC(=S)[S-])n1.
What is the InChIKey of N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate?
The InChIKey is GWQUCKDGGMZVKA-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate?
N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate has a molecular weight of 215.29 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]carbamodithioate is sourced from PubChem (CID 3394691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).