6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione

C8H12N4S2 — CID 54184838

IUPAC6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESS=c1nc(NC2CCCC2)[nH]c(=S)[nH]1
InChIInChI=1S/C8H12N4S2/c13-7-10-6(11-8(14)12-7)9-5-3-1-2-4-5/h5H,1-4H2,(H3,9,10,11,12,13,14)
InChIKeyPEJLGZZMOUWIAN-UHFFFAOYSA-N
MW228.35 g/mol
LogP2.55
Rot. Bonds2

About 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione

6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione (PubChem CID 54184838) has the molecular formula C8H12N4S2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione.

Molecular Properties

Compound Name6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione
PubChem CID54184838
Molecular FormulaC8H12N4S2
Molecular Weight228.35 g/mol
Exact Mass228.05
IUPAC Name6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione
SMILESS=c1nc(NC2CCCC2)[nH]c(=S)[nH]1
InChIInChI=1S/C8H12N4S2/c13-7-10-6(11-8(14)12-7)9-5-3-1-2-4-5/h5H,1-4H2,(H3,9,10,11,12,13,14)
InChIKeyPEJLGZZMOUWIAN-UHFFFAOYSA-N
XLogP2.55
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
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-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione?
The IUPAC name of 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione (CID 54184838) is 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione.
What is the SMILES notation for 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione?
The canonical SMILES for 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione is S=c1nc(NC2CCCC2)[nH]c(=S)[nH]1.
What is the InChIKey of 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione?
The InChIKey is PEJLGZZMOUWIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S2/c13-7-10-6(11-8(14)12-7)9-5-3-1-2-4-5/h5H,1-4H2,(H3,9,10,11,12,13,14).
What are the key properties of 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione?
6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione has a molecular weight of 228.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione is sourced from PubChem (CID 54184838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).