CID 10816024

C21H30GaN6O6 — CID 10816024

IUPAC—
SMILESNCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.[Ga]
InChIInChI=1S/3C7H10N2O2.Ga/c3*8-2-4-9-3-1-6(10)7(11)5-9;/h3*1,3,5,11H,2,4,8H2;
InChIKeyHXYJBUMTEUNKCF-UHFFFAOYSA-N
MW532.23 g/mol
LogP-1.84
Rot. Bonds6

About CID 10816024

CID 10816024 (PubChem CID 10816024) has the molecular formula C21H30GaN6O6 and a molecular weight of 532.23 g/mol.

Molecular Properties

Compound NameCID 10816024
PubChem CID10816024
Molecular FormulaC21H30GaN6O6
Molecular Weight532.23 g/mol
Exact Mass531.15
IUPAC Name—
SMILESNCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.[Ga]
InChIInChI=1S/3C7H10N2O2.Ga/c3*8-2-4-9-3-1-6(10)7(11)5-9;/h3*1,3,5,11H,2,4,8H2;
InChIKeyHXYJBUMTEUNKCF-UHFFFAOYSA-N
XLogP-1.84
TPSA204.75 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500532.23
LogP ≤ 5-1.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

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tris(3-hydroxy-1H-pyridin-4-one);trihydrate
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1-(2-Aminoethyl)-3-[bis[[1-(2-aminoethyl)-4-oxo-3-pyridinyl]oxy]indiganyloxy]pyridin-4-one
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1-(2-Aminoethyl)-3-[bis[[1-(2-aminoethyl)-4-oxo-3-pyridinyl]oxy]gallanyloxy]pyridin-4-one
CID 16687214
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Frequently Asked Questions

What is the IUPAC name of CID 10816024?
The IUPAC name of CID 10816024 (CID 10816024) is not available.
What is the SMILES notation for CID 10816024?
The canonical SMILES for CID 10816024 is NCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.NCCn1ccc(=O)c(O)c1.[Ga].
What is the InChIKey of CID 10816024?
The InChIKey is HXYJBUMTEUNKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H10N2O2.Ga/c3*8-2-4-9-3-1-6(10)7(11)5-9;/h3*1,3,5,11H,2,4,8H2;.
What are the key properties of CID 10816024?
CID 10816024 has a molecular weight of 532.23 g/mol, XLogP of -1.84, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10816024 is sourced from PubChem (CID 10816024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).