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

C8H16N6S — CID 66235082

IUPAC6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(N)CCSCc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6S/c1-5(9)2-3-15-4-6-12-7(10)14-8(11)13-6/h5H,2-4,9H2,1H3,(H4,10,11,12,13,14)
InChIKeyHZAZHJZFGAJYQP-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.01
Rot. Bonds5

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

6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 66235082) has the molecular formula C8H16N6S and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID66235082
Molecular FormulaC8H16N6S
Molecular Weight228.32 g/mol
Exact Mass228.12
IUPAC Name6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(N)CCSCc1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6S/c1-5(9)2-3-15-4-6-12-7(10)14-8(11)13-6/h5H,2-4,9H2,1H3,(H4,10,11,12,13,14)
InChIKeyHZAZHJZFGAJYQP-UHFFFAOYSA-N
XLogP0.01
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 66235082) is 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is CC(N)CCSCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HZAZHJZFGAJYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6S/c1-5(9)2-3-15-4-6-12-7(10)14-8(11)13-6/h5H,2-4,9H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 228.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminobutylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66235082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).