1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium

C7H9N4O2+ — CID 102482142

IUPAC1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium
SMILESCc1c([N+]#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H9N4O2/c1-4-5(9-8)6(12)11(3)7(13)10(4)2/h1-3H3/q+1
InChIKeyQVYSYWDFFQDYRR-UHFFFAOYSA-N
MW181.17 g/mol
LogP-0.12
Rot. Bonds

About 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium

1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium (PubChem CID 102482142) has the molecular formula C7H9N4O2+ and a molecular weight of 181.17 g/mol. Its IUPAC name is 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium.

Molecular Properties

Compound Name1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium
PubChem CID102482142
Molecular FormulaC7H9N4O2+
Molecular Weight181.17 g/mol
Exact Mass181.07
IUPAC Name1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium
SMILESCc1c([N+]#N)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C7H9N4O2/c1-4-5(9-8)6(12)11(3)7(13)10(4)2/h1-3H3/q+1
InChIKeyQVYSYWDFFQDYRR-UHFFFAOYSA-N
XLogP-0.12
TPSA72.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium?
The IUPAC name of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium (CID 102482142) is 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium.
What is the SMILES notation for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium?
The canonical SMILES for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium is Cc1c([N+]#N)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium?
The InChIKey is QVYSYWDFFQDYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N4O2/c1-4-5(9-8)6(12)11(3)7(13)10(4)2/h1-3H3/q+1.
What are the key properties of 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium?
1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium has a molecular weight of 181.17 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-2,6-dioxopyrimidine-5-diazonium is sourced from PubChem (CID 102482142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).