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

C10H19N5O2 — CID 43410676

IUPAC6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)CC(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H19N5O2/c1-10(2,6-15(3)4)5-11-7-8(16)12-9(17)14-13-7/h5-6H2,1-4H3,(H,11,13)(H2,12,14,16,17)
InChIKeyPWBKXQMLRFJUIE-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.54
Rot. Bonds5

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

6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410676) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID43410676
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione
SMILESCN(C)CC(C)(C)CNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H19N5O2/c1-10(2,6-15(3)4)5-11-7-8(16)12-9(17)14-13-7/h5-6H2,1-4H3,(H,11,13)(H2,12,14,16,17)
InChIKeyPWBKXQMLRFJUIE-UHFFFAOYSA-N
XLogP-0.54
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione (CID 43410676) is 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione is CN(C)CC(C)(C)CNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PWBKXQMLRFJUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-10(2,6-15(3)4)5-11-7-8(16)12-9(17)14-13-7/h5-6H2,1-4H3,(H,11,13)(H2,12,14,16,17).
What are the key properties of 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione?
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 241.29 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).