6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione

C7H10N4O2S — CID 103704319

IUPAC6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCSC2)c(=O)[nH]1
InChIInChI=1S/C7H10N4O2S/c12-6-5(10-11-7(13)9-6)8-4-1-2-14-3-4/h4H,1-3H2,(H,8,10)(H2,9,11,12,13)
InChIKeyVMZVEILLLHRZQK-UHFFFAOYSA-N
MW214.25 g/mol
LogP-0.62
Rot. Bonds2

About 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione

6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 103704319) has the molecular formula C7H10N4O2S and a molecular weight of 214.25 g/mol. Its IUPAC name is 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID103704319
Molecular FormulaC7H10N4O2S
Molecular Weight214.25 g/mol
Exact Mass214.05
IUPAC Name6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(NC2CCSC2)c(=O)[nH]1
InChIInChI=1S/C7H10N4O2S/c12-6-5(10-11-7(13)9-6)8-4-1-2-14-3-4/h4H,1-3H2,(H,8,10)(H2,9,11,12,13)
InChIKeyVMZVEILLLHRZQK-UHFFFAOYSA-N
XLogP-0.62
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)-ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 4517118
6-[(1,1-dioxothiolan-3-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43410713
6-[(1,1-dioxothian-4-yl)amino]-2H-1,2,4-triazine-3,5-dione
CID 43646878
6-(thian-4-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 52167187
6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 60753914
6-[(2-methyl-3-methylsulfanylpropyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 63965710
6-(3-methylsulfanylpropylamino)-2H-1,2,4-triazine-3,5-dione
CID 63966140
6-(1-methylsulfonylpropan-2-ylamino)-2H-1,2,4-triazine-3,5-dione
CID 64122114
6-(thiolan-2-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 80403478
6-[(2-methylthiolan-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 80527797
6-(thian-2-ylmethylamino)-2H-1,2,4-triazine-3,5-dione
CID 80612736
6-[(1,1-dioxothiolan-2-yl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 81040253

Frequently Asked Questions

What is the IUPAC name of 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione (CID 103704319) is 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(NC2CCSC2)c(=O)[nH]1.
What is the InChIKey of 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is VMZVEILLLHRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2S/c12-6-5(10-11-7(13)9-6)8-4-1-2-14-3-4/h4H,1-3H2,(H,8,10)(H2,9,11,12,13).
What are the key properties of 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione?
6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 214.25 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thiolan-3-ylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 103704319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).