(4-carboxyimidazol-1-yl)thallium

C4H3N2O2Tl — CID 147472653

IUPAC(4-carboxyimidazol-1-yl)thallium
SMILESO=C(O)c1cn([Tl])cn1
InChIInChI=1S/C4H4N2O2.Tl/c7-4(8)3-1-5-2-6-3;/h1-2H,(H2,5,6,7,8);/q;+1/p-1
InChIKeyFCBVLOFJYYEMNC-UHFFFAOYSA-M
MW315.46 g/mol
LogP-0.49
Rot. Bonds1

About (4-carboxyimidazol-1-yl)thallium

(4-carboxyimidazol-1-yl)thallium (PubChem CID 147472653) has the molecular formula C4H3N2O2Tl and a molecular weight of 315.46 g/mol. Its IUPAC name is (4-carboxyimidazol-1-yl)thallium.

Molecular Properties

Compound Name(4-carboxyimidazol-1-yl)thallium
PubChem CID147472653
Molecular FormulaC4H3N2O2Tl
Molecular Weight315.46 g/mol
Exact Mass315.99
IUPAC Name(4-carboxyimidazol-1-yl)thallium
SMILESO=C(O)c1cn([Tl])cn1
InChIInChI=1S/C4H4N2O2.Tl/c7-4(8)3-1-5-2-6-3;/h1-2H,(H2,5,6,7,8);/q;+1/p-1
InChIKeyFCBVLOFJYYEMNC-UHFFFAOYSA-M
XLogP-0.49
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-carboxyimidazol-1-yl)thallium?
The IUPAC name of (4-carboxyimidazol-1-yl)thallium (CID 147472653) is (4-carboxyimidazol-1-yl)thallium.
What is the SMILES notation for (4-carboxyimidazol-1-yl)thallium?
The canonical SMILES for (4-carboxyimidazol-1-yl)thallium is O=C(O)c1cn([Tl])cn1.
What is the InChIKey of (4-carboxyimidazol-1-yl)thallium?
The InChIKey is FCBVLOFJYYEMNC-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O2.Tl/c7-4(8)3-1-5-2-6-3;/h1-2H,(H2,5,6,7,8);/q;+1/p-1.
What are the key properties of (4-carboxyimidazol-1-yl)thallium?
(4-carboxyimidazol-1-yl)thallium has a molecular weight of 315.46 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carboxyimidazol-1-yl)thallium is sourced from PubChem (CID 147472653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).