6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione

C11H20N4O2 — CID 102914049

IUPAC6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C(CNc1n[nH]c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C11H20N4O2/c1-6(2)8(7(3)4)5-12-9-10(16)13-11(17)15-14-9/h6-8H,5H2,1-4H3,(H,12,14)(H2,13,15,16,17)
InChIKeySNDWOMQJXJZGJX-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.80
Rot. Bonds5

About 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione

6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (PubChem CID 102914049) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
PubChem CID102914049
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione
SMILESCC(C)C(CNc1n[nH]c(=O)[nH]c1=O)C(C)C
InChIInChI=1S/C11H20N4O2/c1-6(2)8(7(3)4)5-12-9-10(16)13-11(17)15-14-9/h6-8H,5H2,1-4H3,(H,12,14)(H2,13,15,16,17)
InChIKeySNDWOMQJXJZGJX-UHFFFAOYSA-N
XLogP0.80
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(3-methyl-2-propan-2-ylbutyl)amino]-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-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione (CID 102914049) is 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is CC(C)C(CNc1n[nH]c(=O)[nH]c1=O)C(C)C.
What is the InChIKey of 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SNDWOMQJXJZGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-6(2)8(7(3)4)5-12-9-10(16)13-11(17)15-14-9/h6-8H,5H2,1-4H3,(H,12,14)(H2,13,15,16,17).
What are the key properties of 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione?
6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 240.31 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-2-propan-2-ylbutyl)amino]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 102914049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).