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

C11H21N5O2 — CID 54963692

IUPAC6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(CN(C)C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H21N5O2/c1-7(2)5-8(6-16(3)4)12-9-10(17)13-11(18)15-14-9/h7-8H,5-6H2,1-4H3,(H,12,14)(H2,13,15,17,18)
InChIKeyGGMDAHXYNKWNTD-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.15
Rot. Bonds6

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

6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 54963692) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID54963692
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)CC(CN(C)C)Nc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H21N5O2/c1-7(2)5-8(6-16(3)4)12-9-10(17)13-11(18)15-14-9/h7-8H,5-6H2,1-4H3,(H,12,14)(H2,13,15,17,18)
InChIKeyGGMDAHXYNKWNTD-UHFFFAOYSA-N
XLogP-0.15
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione (CID 54963692) is 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione is CC(C)CC(CN(C)C)Nc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is GGMDAHXYNKWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-7(2)5-8(6-16(3)4)12-9-10(17)13-11(18)15-14-9/h7-8H,5-6H2,1-4H3,(H,12,14)(H2,13,15,17,18).
What are the key properties of 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 255.32 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 54963692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).