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

C8H10N5Y+2 — CID 18683331

IUPACN,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)
SMILESCc1nnc2[c-]cc(N(C)C)nn12.[Y+3]
InChIInChI=1S/C8H10N5.Y/c1-6-9-10-7-4-5-8(12(2)3)11-13(6)7;/h5H,1-3H3;/q-1;+3
InChIKeyIHLISCQSCZTYKO-UHFFFAOYSA-N
MW265.11 g/mol
LogP0.30
Rot. Bonds1

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

N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+) (PubChem CID 18683331) has the molecular formula C8H10N5Y+2 and a molecular weight of 265.11 g/mol. Its IUPAC name is N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+).

Molecular Properties

Compound NameN,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)
PubChem CID18683331
Molecular FormulaC8H10N5Y+2
Molecular Weight265.11 g/mol
Exact Mass265.00
IUPAC NameN,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)
SMILESCc1nnc2[c-]cc(N(C)C)nn12.[Y+3]
InChIInChI=1S/C8H10N5.Y/c1-6-9-10-7-4-5-8(12(2)3)11-13(6)7;/h5H,1-3H3;/q-1;+3
InChIKeyIHLISCQSCZTYKO-UHFFFAOYSA-N
XLogP0.30
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Bis-S-triazolo[4,3-b,3',4'-f]pyridazine, 3,3'-dimethyl
CID 604635
N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium
CID 59879597
3-Ethenyl-4,5-dimethyl-1,2,4-triazole
CID 91174647
diiodovanadium;N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium
CID 158265552
3-[(1Z)-buta-1,3-dienyl]-4,5-dimethyl-1,2,4-triazole
CID 169872700
Ethane;3-ethenyl-4,5-dimethyl-1,2,4-triazole
CID 171542093

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)?
The IUPAC name of N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+) (CID 18683331) is N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+).
What is the SMILES notation for N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)?
The canonical SMILES for N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+) is Cc1nnc2[c-]cc(N(C)C)nn12.[Y+3].
What is the InChIKey of N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)?
The InChIKey is IHLISCQSCZTYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N5.Y/c1-6-9-10-7-4-5-8(12(2)3)11-13(6)7;/h5H,1-3H3;/q-1;+3.
What are the key properties of N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+)?
N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+) has a molecular weight of 265.11 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-8H-[1,2,4]triazolo[4,3-b]pyridazin-8-id-6-amine;yttrium(3+) is sourced from PubChem (CID 18683331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).