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

C11H21N5O2 — CID 113283291

IUPAC6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(N)(CC)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H21N5O2/c1-5-11(12,6-2)7-13-8-9(17)15(3)10(18)16(4)14-8/h5-7,12H2,1-4H3,(H,13,14)
InChIKeyDSILSGUSZLMJQF-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.59
Rot. Bonds5

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

6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 113283291) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID113283291
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCCC(N)(CC)CNc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H21N5O2/c1-5-11(12,6-2)7-13-8-9(17)15(3)10(18)16(4)14-8/h5-7,12H2,1-4H3,(H,13,14)
InChIKeyDSILSGUSZLMJQF-UHFFFAOYSA-N
XLogP-0.59
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 113283291) is 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CCC(N)(CC)CNc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is DSILSGUSZLMJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-5-11(12,6-2)7-13-8-9(17)15(3)10(18)16(4)14-8/h5-7,12H2,1-4H3,(H,13,14).
What are the key properties of 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 255.32 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-ethylbutyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 113283291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).