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

C11H21N5O2 — CID 43410671

IUPAC6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCNc1n[nH]c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C11H21N5O2/c1-7(2)16(8(3)4)6-5-12-9-10(17)13-11(18)15-14-9/h7-8H,5-6H2,1-4H3,(H,12,14)(H2,13,15,17,18)
InChIKeyWZMFRJHVFXVGRH-UHFFFAOYSA-N
MW255.32 g/mol
LogP-0.01
Rot. Bonds6

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

6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 43410671) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
PubChem CID43410671
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)N(CCNc1n[nH]c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C11H21N5O2/c1-7(2)16(8(3)4)6-5-12-9-10(17)13-11(18)15-14-9/h7-8H,5-6H2,1-4H3,(H,12,14)(H2,13,15,17,18)
InChIKeyWZMFRJHVFXVGRH-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione (CID 43410671) is 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione is CC(C)N(CCNc1n[nH]c(=O)[nH]c1=O)C(C)C.
What is the InChIKey of 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is WZMFRJHVFXVGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-7(2)16(8(3)4)6-5-12-9-10(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-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione?
6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 255.32 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[di(propan-2-yl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43410671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).