7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium

C17H16N3+ — CID 10479437

IUPAC7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium
SMILESCc1cc2[n+](nc1C)-c1cccc3cccc(c13)N2C
InChIInChI=1S/C17H16N3/c1-11-10-16-19(3)14-8-4-6-13-7-5-9-15(17(13)14)20(16)18-12(11)2/h4-10H,1-3H3/q+1
InChIKeyJBAAKHRYUCFKAO-UHFFFAOYSA-N
MW262.34 g/mol
LogP3.21
Rot. Bonds

About 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium

7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium (PubChem CID 10479437) has the molecular formula C17H16N3+ and a molecular weight of 262.34 g/mol. Its IUPAC name is 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium.

Molecular Properties

Compound Name7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium
PubChem CID10479437
Molecular FormulaC17H16N3+
Molecular Weight262.34 g/mol
Exact Mass262.13
IUPAC Name7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium
SMILESCc1cc2[n+](nc1C)-c1cccc3cccc(c13)N2C
InChIInChI=1S/C17H16N3/c1-11-10-16-19(3)14-8-4-6-13-7-5-9-15(17(13)14)20(16)18-12(11)2/h4-10H,1-3H3/q+1
InChIKeyJBAAKHRYUCFKAO-UHFFFAOYSA-N
XLogP3.21
TPSA20.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_A(25)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium?
The IUPAC name of 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium (CID 10479437) is 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium.
What is the SMILES notation for 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium?
The canonical SMILES for 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium is Cc1cc2[n+](nc1C)-c1cccc3cccc(c13)N2C.
What is the InChIKey of 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium?
The InChIKey is JBAAKHRYUCFKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N3/c1-11-10-16-19(3)14-8-4-6-13-7-5-9-15(17(13)14)20(16)18-12(11)2/h4-10H,1-3H3/q+1.
What are the key properties of 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium?
7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium has a molecular weight of 262.34 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9,10-trimethylpyridazino[1,6-a]perimidin-12-ium is sourced from PubChem (CID 10479437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).