1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine

C12H16N10O3 — CID 66586199

IUPAC1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCCn1c(=O)[nH]c(=O)[nH]c1=O.Cc1ncc(-c2nc(N)nc(N)n2)[nH]1
InChIInChI=1S/C7H9N7.C5H7N3O3/c1-3-10-2-4(11-3)5-12-6(8)14-7(9)13-5;1-2-8-4(10)6-3(9)7-5(8)11/h2H,1H3,(H,10,11)(H4,8,9,12,13,14);2H2,1H3,(H2,6,7,9,10,11)
InChIKeyWICNDYORWZGVOC-UHFFFAOYSA-N
MW348.33 g/mol
LogP-2.02
Rot. Bonds2

About 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine

1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 66586199) has the molecular formula C12H16N10O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
PubChem CID66586199
Molecular FormulaC12H16N10O3
Molecular Weight348.33 g/mol
Exact Mass348.14
IUPAC Name1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine
SMILESCCn1c(=O)[nH]c(=O)[nH]c1=O.Cc1ncc(-c2nc(N)nc(N)n2)[nH]1
InChIInChI=1S/C7H9N7.C5H7N3O3/c1-3-10-2-4(11-3)5-12-6(8)14-7(9)13-5;1-2-8-4(10)6-3(9)7-5(8)11/h2H,1H3,(H,10,11)(H4,8,9,12,13,14);2H2,1H3,(H2,6,7,9,10,11)
InChIKeyWICNDYORWZGVOC-UHFFFAOYSA-N
XLogP-2.02
TPSA207.11 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 5-2.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine 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 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine (CID 66586199) is 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine is CCn1c(=O)[nH]c(=O)[nH]c1=O.Cc1ncc(-c2nc(N)nc(N)n2)[nH]1.
What is the InChIKey of 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WICNDYORWZGVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7.C5H7N3O3/c1-3-10-2-4(11-3)5-12-6(8)14-7(9)13-5;1-2-8-4(10)6-3(9)7-5(8)11/h2H,1H3,(H,10,11)(H4,8,9,12,13,14);2H2,1H3,(H2,6,7,9,10,11).
What are the key properties of 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine?
1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 348.33 g/mol, XLogP of -2.02, 2 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3,5-triazinane-2,4,6-trione;6-(2-methyl-1H-imidazol-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 66586199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).