2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione

C7H9N5O3 — CID 6455999

IUPAC2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione
SMILESCc1ncc[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H6N2.C3H3N3O3/c1-4-5-2-3-6-4;7-1-4-2(8)6-3(9)5-1/h2-3H,1H3,(H,5,6);(H3,4,5,6,7,8,9)
InChIKeyQXSNXUCNBZLVFM-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.53
Rot. Bonds

About 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione

2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione (PubChem CID 6455999) has the molecular formula C7H9N5O3 and a molecular weight of 211.18 g/mol. Its IUPAC name is 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione
PubChem CID6455999
Molecular FormulaC7H9N5O3
Molecular Weight211.18 g/mol
Exact Mass211.07
IUPAC Name2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione
SMILESCc1ncc[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C4H6N2.C3H3N3O3/c1-4-5-2-3-6-4;7-1-4-2(8)6-3(9)5-1/h2-3H,1H3,(H,5,6);(H3,4,5,6,7,8,9)
InChIKeyQXSNXUCNBZLVFM-UHFFFAOYSA-N
XLogP-1.53
TPSA127.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione (CID 6455999) is 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione is Cc1ncc[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione?
The InChIKey is QXSNXUCNBZLVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2.C3H3N3O3/c1-4-5-2-3-6-4;7-1-4-2(8)6-3(9)5-1/h2-3H,1H3,(H,5,6);(H3,4,5,6,7,8,9).
What are the key properties of 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione?
2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione has a molecular weight of 211.18 g/mol, XLogP of -1.53, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole;1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 6455999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).