2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide

C13H17IN4Pt-3 — CID 155634879

IUPAC2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide
SMILESI[Pt].[NH-]CC[NH-].c1ccc2c3c([nH]c2c1)C[N-]CC3
InChIInChI=1S/C11H11N2.C2H6N2.HI.Pt/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;3-1-2-4;;/h1-4,13H,5-7H2;3-4H,1-2H2;1H;/q-1;-2;;+1/p-1
InChIKeySMYYCKJQXWWUQR-UHFFFAOYSA-M
MW551.29 g/mol
LogP4.57
Rot. Bonds1

About 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide

2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide (PubChem CID 155634879) has the molecular formula C13H17IN4Pt-3 and a molecular weight of 551.29 g/mol. Its IUPAC name is 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide.

Molecular Properties

Compound Name2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide
PubChem CID155634879
Molecular FormulaC13H17IN4Pt-3
Molecular Weight551.29 g/mol
Exact Mass551.02
IUPAC Name2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide
SMILESI[Pt].[NH-]CC[NH-].c1ccc2c3c([nH]c2c1)C[N-]CC3
InChIInChI=1S/C11H11N2.C2H6N2.HI.Pt/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;3-1-2-4;;/h1-4,13H,5-7H2;3-4H,1-2H2;1H;/q-1;-2;;+1/p-1
InChIKeySMYYCKJQXWWUQR-UHFFFAOYSA-M
XLogP4.57
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
CID 6931422
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 15192091
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
2,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium iodide
CID 2752150
1,3,4,9-tetrahydropyrido[3,4-b]indol-2-amine
CID 118402613
cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
CID 67693209
1H-indole;2,3,4,9-tetrahydro-1H-carbazole
CID 161045949
9H-carbazole;copper
CID 159878189
2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 22154185
3-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 65335385
2-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 89161688

Frequently Asked Questions

What is the IUPAC name of 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide?
The IUPAC name of 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide (CID 155634879) is 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide.
What is the SMILES notation for 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide?
The canonical SMILES for 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide is I[Pt].[NH-]CC[NH-].c1ccc2c3c([nH]c2c1)C[N-]CC3.
What is the InChIKey of 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide?
The InChIKey is SMYYCKJQXWWUQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H11N2.C2H6N2.HI.Pt/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;3-1-2-4;;/h1-4,13H,5-7H2;3-4H,1-2H2;1H;/q-1;-2;;+1/p-1.
What are the key properties of 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide?
2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide has a molecular weight of 551.29 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azanidylethylazanide;iodoplatinum;1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ide is sourced from PubChem (CID 155634879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).