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

C12H23N5O2 — CID 61480157

IUPAC6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)C(CN(C)C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H23N5O2/c1-8(2)9(7-15(3)4)13-10-11(18)16(5)12(19)17(6)14-10/h8-9H,7H2,1-6H3,(H,13,14)
InChIKeyICDZUONIAJAXBD-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.52
Rot. Bonds5

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

6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 61480157) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID61480157
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)C(CN(C)C)Nc1nn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H23N5O2/c1-8(2)9(7-15(3)4)13-10-11(18)16(5)12(19)17(6)14-10/h8-9H,7H2,1-6H3,(H,13,14)
InChIKeyICDZUONIAJAXBD-UHFFFAOYSA-N
XLogP-0.52
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 61480157) is 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(C)C(CN(C)C)Nc1nn(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ICDZUONIAJAXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-8(2)9(7-15(3)4)13-10-11(18)16(5)12(19)17(6)14-10/h8-9H,7H2,1-6H3,(H,13,14).
What are the key properties of 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 269.35 g/mol, XLogP of -0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61480157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).