6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H23N5O2 — CID 118928179

IUPAC6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)[C@H]1CCCC[C@H]1Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O2/c1-16(2)10-8-6-5-7-9(10)14-11-12(19)17(3)13(20)18(4)15-11/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyCCLLYXGNHJFIJG-ZJUUUORDSA-N
MW281.36 g/mol
LogP-0.24
Rot. Bonds3

About 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 118928179) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID118928179
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCN(C)[C@H]1CCCC[C@H]1Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C13H23N5O2/c1-16(2)10-8-6-5-7-9(10)14-11-12(19)17(3)13(20)18(4)15-11/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyCCLLYXGNHJFIJG-ZJUUUORDSA-N
XLogP-0.24
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[[(3R,5R)-5-fluoro-1-methylpiperidin-3-yl]amino]-4-methyl-2H-1,2,4-triazine-3,5-dione
CID 177934184
N-cyclohexyl-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542380
Sdccgsbi-0661557.P001
CID 4783663
6-[2-(Diethylamino)ethylamino]-2,4-di(propan-2-yl)-1,2,4-triazine-3,5-dione
CID 52167907
6-[2-(Diethylamino)ethylamino]-2,4-dipropyl-1,2,4-triazine-3,5-dione
CID 52168158
6-[(2-Aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 55151132
2,4-dimethyl-6-(3-methyl-piperazin-1-yl)-2H-[1,2,4]triazine-3,5-dione
CID 58269805
6-[(2-aminocyclohexyl)amino]-2H-1,2,4-triazine-3,5-dione
CID 61037893
6-[1-(Diethylamino)propan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61808430
6-[(2-Aminocyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63252360
6-[(2-Aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63258673
6-[2-Aminopropyl(methyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63760136

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 118928179) is 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CN(C)[C@H]1CCCC[C@H]1Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is CCLLYXGNHJFIJG-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-16(2)10-8-6-5-7-9(10)14-11-12(19)17(3)13(20)18(4)15-11/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 281.36 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 118928179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).