6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione

C10H16N4O2S — CID 103674941

IUPAC6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCSC1CCCC(Nc2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C10H16N4O2S/c1-17-7-4-2-3-6(5-7)11-8-9(15)12-10(16)14-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyDJVOWDABQWILCU-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.54
Rot. Bonds3

About 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 103674941) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID103674941
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCSC1CCCC(Nc2n[nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C10H16N4O2S/c1-17-7-4-2-3-6(5-7)11-8-9(15)12-10(16)14-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,12,14,15,16)
InChIKeyDJVOWDABQWILCU-UHFFFAOYSA-N
XLogP0.54
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclohexylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410712
6-(thian-4-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 52167187
6-(hexan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 62200622
6-[2-aminoethyl(cyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63765478
6-(3-methylsulfanylpropylamino)-2H-1,2,4-triazine-3,5-dione
CID 63966140
6-[[4-(methylamino)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 79110485
6-[methyl-[4-(methylamino)cyclohexyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 79111254
6-[(4-aminocyclohexyl)-ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 79111767
6-[(4-aminocyclohexyl)-propylamino]-2H-1,2,4-triazine-3,5-dione
CID 79111895
6-[(4-aminocyclohexyl)-methylamino]-2H-1,2,4-triazine-3,5-dione
CID 79115561
6-(thiolan-2-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 80403478
2,4-Dimethyl-6-(thian-2-ylmethylamino)-1,2,4-triazine-3,5-dione
CID 80612246

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 103674941) is 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione is CSC1CCCC(Nc2n[nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DJVOWDABQWILCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-17-7-4-2-3-6(5-7)11-8-9(15)12-10(16)14-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 256.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylsulfanylcyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103674941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).