2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione

C13H20N4S — CID 83241211

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2CCC3CCCCC3C2)[nH]1
InChIInChI=1S/C13H20N4S/c14-12-15-11(16-13(18)17-12)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2,(H3,14,15,16,17,18)
InChIKeyTVQPKWYRYUUQBU-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.19
Rot. Bonds1

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione

2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione (PubChem CID 83241211) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione
PubChem CID83241211
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione
SMILESNc1nc(=S)nc(C2CCC3CCCCC3C2)[nH]1
InChIInChI=1S/C13H20N4S/c14-12-15-11(16-13(18)17-12)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2,(H3,14,15,16,17,18)
InChIKeyTVQPKWYRYUUQBU-UHFFFAOYSA-N
XLogP3.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.19
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 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione (CID 83241211) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione is Nc1nc(=S)nc(C2CCC3CCCCC3C2)[nH]1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione?
The InChIKey is TVQPKWYRYUUQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c14-12-15-11(16-13(18)17-12)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2,(H3,14,15,16,17,18).
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione has a molecular weight of 264.40 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-6-amino-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83241211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).