diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium

C8H10I2N5VY- — CID 158265552

IUPACdiiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium
SMILESCc1nnc2[c-]cc(N(C)C)nn12.I[V]I.[Y]
InChIInChI=1S/C8H10N5.2HI.V.Y/c1-6-9-10-7-4-5-8(12(2)3)11-13(6)7;;;;/h5H,1-3H3;2*1H;;/q-1;;;+2;/p-2
InChIKeyJDTWARMIQAKYOY-UHFFFAOYSA-L
MW569.86 g/mol
LogP2.07
Rot. Bonds1

About diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium

diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium (PubChem CID 158265552) has the molecular formula C8H10I2N5VY- and a molecular weight of 569.86 g/mol. Its IUPAC name is diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium.

Molecular Properties

Compound Namediiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium
PubChem CID158265552
Molecular FormulaC8H10I2N5VY-
Molecular Weight569.86 g/mol
Exact Mass569.75
IUPAC Namediiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium
SMILESCc1nnc2[c-]cc(N(C)C)nn12.I[V]I.[Y]
InChIInChI=1S/C8H10N5.2HI.V.Y/c1-6-9-10-7-4-5-8(12(2)3)11-13(6)7;;;;/h5H,1-3H3;2*1H;;/q-1;;;+2;/p-2
InChIKeyJDTWARMIQAKYOY-UHFFFAOYSA-L
XLogP2.07
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.86
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium
CID 59879597
N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)
CID 18683331

Frequently Asked Questions

What is the IUPAC name of diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium?
The IUPAC name of diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium (CID 158265552) is diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium.
What is the SMILES notation for diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium?
The canonical SMILES for diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium is Cc1nnc2[c-]cc(N(C)C)nn12.I[V]I.[Y].
What is the InChIKey of diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium?
The InChIKey is JDTWARMIQAKYOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H10N5.2HI.V.Y/c1-6-9-10-7-4-5-8(12(2)3)11-13(6)7;;;;/h5H,1-3H3;2*1H;;/q-1;;;+2;/p-2.
What are the key properties of diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium?
diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium has a molecular weight of 569.86 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium is sourced from PubChem (CID 158265552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).