6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione

C10H18N4S2 — CID 56991116

IUPAC6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione
SMILESCCN(CCC(C)C)c1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C10H18N4S2/c1-4-14(6-5-7(2)3)8-11-9(15)13-10(16)12-8/h7H,4-6H2,1-3H3,(H2,11,12,13,15,16)
InChIKeyKZVKLNGTNIJKLH-UHFFFAOYSA-N
MW258.42 g/mol
LogP3.07
Rot. Bonds5

About 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione

6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione (PubChem CID 56991116) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione
PubChem CID56991116
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione
SMILESCCN(CCC(C)C)c1nc(=S)[nH]c(=S)[nH]1
InChIInChI=1S/C10H18N4S2/c1-4-14(6-5-7(2)3)8-11-9(15)13-10(16)12-8/h7H,4-6H2,1-3H3,(H2,11,12,13,15,16)
InChIKeyKZVKLNGTNIJKLH-UHFFFAOYSA-N
XLogP3.07
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione (CID 56991116) is 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione is CCN(CCC(C)C)c1nc(=S)[nH]c(=S)[nH]1.
What is the InChIKey of 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is KZVKLNGTNIJKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-4-14(6-5-7(2)3)8-11-9(15)13-10(16)12-8/h7H,4-6H2,1-3H3,(H2,11,12,13,15,16).
What are the key properties of 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione?
6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 258.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(3-methylbutyl)amino]-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 56991116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).