6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione

C10H18N4O2 — CID 78966832

IUPAC6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(CNc1n[nH]c(=O)[nH]c1=O)C(C)(C)C
InChIInChI=1S/C10H18N4O2/c1-6(10(2,3)4)5-11-7-8(15)12-9(16)14-13-7/h6H,5H2,1-4H3,(H,11,13)(H2,12,14,15,16)
InChIKeyDGTJTAHGUVJOGA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.55
Rot. Bonds3

About 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione

6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 78966832) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID78966832
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCC(CNc1n[nH]c(=O)[nH]c1=O)C(C)(C)C
InChIInChI=1S/C10H18N4O2/c1-6(10(2,3)4)5-11-7-8(15)12-9(16)14-13-7/h6H,5H2,1-4H3,(H,11,13)(H2,12,14,15,16)
InChIKeyDGTJTAHGUVJOGA-UHFFFAOYSA-N
XLogP0.55
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione (CID 78966832) is 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione is CC(CNc1n[nH]c(=O)[nH]c1=O)C(C)(C)C.
What is the InChIKey of 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is DGTJTAHGUVJOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-6(10(2,3)4)5-11-7-8(15)12-9(16)14-13-7/h6H,5H2,1-4H3,(H,11,13)(H2,12,14,15,16).
What are the key properties of 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 226.28 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3-trimethylbutylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 78966832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).