6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

C13H25N5O2 — CID 43410497

IUPAC6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCNc1nn(C)c(=O)n(C)c1=O)C(C)C
InChIInChI=1S/C13H25N5O2/c1-9(2)18(10(3)4)8-7-14-11-12(19)16(5)13(20)17(6)15-11/h9-10H,7-8H2,1-6H3,(H,14,15)
InChIKeyZIRSKVTUPALBKC-UHFFFAOYSA-N
MW283.38 g/mol
LogP0.01
Rot. Bonds6

About 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43410497) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43410497
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCNc1nn(C)c(=O)n(C)c1=O)C(C)C
InChIInChI=1S/C13H25N5O2/c1-9(2)18(10(3)4)8-7-14-11-12(19)16(5)13(20)17(6)15-11/h9-10H,7-8H2,1-6H3,(H,14,15)
InChIKeyZIRSKVTUPALBKC-UHFFFAOYSA-N
XLogP0.01
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43410497) is 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is CC(C)N(CCNc1nn(C)c(=O)n(C)c1=O)C(C)C.
What is the InChIKey of 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is ZIRSKVTUPALBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-9(2)18(10(3)4)8-7-14-11-12(19)16(5)13(20)17(6)15-11/h9-10H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 283.38 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[di(propan-2-yl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).