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

C11H19N5O2 — CID 93454020

IUPAC6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N[C@@H]2CCCC[C@@H]2N)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyNYTXGSJRZQAUCQ-JGVFFNPUSA-N
MW253.31 g/mol
LogP-0.84
Rot. Bonds2

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

6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 93454020) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID93454020
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N[C@@H]2CCCC[C@@H]2N)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyNYTXGSJRZQAUCQ-JGVFFNPUSA-N
XLogP-0.84
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 93454020) is 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N[C@@H]2CCCC[C@@H]2N)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is NYTXGSJRZQAUCQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-15-10(17)9(14-16(2)11(15)18)13-8-6-4-3-5-7(8)12/h7-8H,3-6,12H2,1-2H3,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 253.31 g/mol, XLogP of -0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 93454020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).