carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium

C14H13N3Y-2 — CID 58883381

IUPACcarbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium
SMILESCc1cnn2c(-c3c[c-]ccc3)cnc2c1.[CH3-].[Y]
InChIInChI=1S/C13H10N3.CH3.Y/c1-10-7-13-14-9-12(16(13)15-8-10)11-5-3-2-4-6-11;;/h2-3,5-9H,1H3;1H3;/q2*-1;
InChIKeySMEGLNFCOJACPC-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.95
Rot. Bonds1

About carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium

carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium (PubChem CID 58883381) has the molecular formula C14H13N3Y-2 and a molecular weight of 312.19 g/mol. Its IUPAC name is carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium.

Molecular Properties

Compound Namecarbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium
PubChem CID58883381
Molecular FormulaC14H13N3Y-2
Molecular Weight312.19 g/mol
Exact Mass312.02
IUPAC Namecarbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium
SMILESCc1cnn2c(-c3c[c-]ccc3)cnc2c1.[CH3-].[Y]
InChIInChI=1S/C13H10N3.CH3.Y/c1-10-7-13-14-9-12(16(13)15-8-10)11-5-3-2-4-6-11;;/h2-3,5-9H,1H3;1H3;/q2*-1;
InChIKeySMEGLNFCOJACPC-UHFFFAOYSA-N
XLogP2.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)
CID 23600256
1-[3-(7-pyridin-3-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
CID 25174294
magnesium;1-methyl-4-phenylbenzene;bromide
CID 91655477
3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 140652262
carbanide;methylbenzene;propane;yttrium
CID 157106806
methylbenzene
CID 5150539
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
CID 171473998
3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine
CID 168942855
16-methyl-8,14,19,21,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(20),2(23),3,5,15(22),16,18-heptaen-7-one
CID 137121352
3-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 176715171
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-b]pyridazin-7-yl]benzoate
CID 25176705
4-[7-[3-(methylcarbamoyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]pyridine-2-carboxylic acid
CID 141367130

Frequently Asked Questions

What is the IUPAC name of carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium?
The IUPAC name of carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium (CID 58883381) is carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium.
What is the SMILES notation for carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium?
The canonical SMILES for carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium is Cc1cnn2c(-c3c[c-]ccc3)cnc2c1.[CH3-].[Y].
What is the InChIKey of carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium?
The InChIKey is SMEGLNFCOJACPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N3.CH3.Y/c1-10-7-13-14-9-12(16(13)15-8-10)11-5-3-2-4-6-11;;/h2-3,5-9H,1H3;1H3;/q2*-1;.
What are the key properties of carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium?
carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium has a molecular weight of 312.19 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium is sourced from PubChem (CID 58883381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).