carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)

C13H12N4Y+ — CID 23600256

IUPACcarbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)
SMILESCc1cnn2c(-c3c[c-]ccc3)cnc2n1.[CH3-].[Y+3]
InChIInChI=1S/C12H9N4.CH3.Y/c1-9-7-14-16-11(8-13-12(16)15-9)10-5-3-2-4-6-10;;/h2-3,5-8H,1H3;1H3;/q2*-1;+3
InChIKeyBLJQRKZKSJXNDJ-UHFFFAOYSA-N
MW313.17 g/mol
LogP2.35
Rot. Bonds1

About carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)

carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+) (PubChem CID 23600256) has the molecular formula C13H12N4Y+ and a molecular weight of 313.17 g/mol. Its IUPAC name is carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+).

Molecular Properties

Compound Namecarbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)
PubChem CID23600256
Molecular FormulaC13H12N4Y+
Molecular Weight313.17 g/mol
Exact Mass313.01
IUPAC Namecarbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)
SMILESCc1cnn2c(-c3c[c-]ccc3)cnc2n1.[CH3-].[Y+3]
InChIInChI=1S/C12H9N4.CH3.Y/c1-9-7-14-16-11(8-13-12(16)15-9)10-5-3-2-4-6-10;;/h2-3,5-8H,1H3;1H3;/q2*-1;+3
InChIKeyBLJQRKZKSJXNDJ-UHFFFAOYSA-N
XLogP2.35
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbanide;7-methyl-3-phenylimidazo[1,2-b]pyridazine;yttrium
CID 58883381
7-methyl-3-phenylimidazo[1,2-b][1,2,4]triazine
CID 10987529
magnesium;1-methyl-4-phenylbenzene;bromide
CID 91655477
7-(3-bromo-4-methylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
CID 22240107
7-(3-thiophen-2-ylphenyl)-3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazine
CID 10269117
5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1079878
2-methyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 30465384
7-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]imidazo[1,2-b][1,2,4]triazine
CID 50914114
6-methyl-3H-pyridin-3-ide;yttrium(3+)
CID 21299392
5-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 12826650
1-[2-[2-fluoro-5-[3-(trifluoromethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]phenyl]phenyl]ethanone
CID 10200976
ethyl 7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylate
CID 46900211

Frequently Asked Questions

What is the IUPAC name of carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)?
The IUPAC name of carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+) (CID 23600256) is carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+).
What is the SMILES notation for carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)?
The canonical SMILES for carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+) is Cc1cnn2c(-c3c[c-]ccc3)cnc2n1.[CH3-].[Y+3].
What is the InChIKey of carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)?
The InChIKey is BLJQRKZKSJXNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N4.CH3.Y/c1-9-7-14-16-11(8-13-12(16)15-9)10-5-3-2-4-6-10;;/h2-3,5-8H,1H3;1H3;/q2*-1;+3.
What are the key properties of carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+)?
carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+) has a molecular weight of 313.17 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-methyl-7-phenylimidazo[1,2-b][1,2,4]triazine;yttrium(3+) is sourced from PubChem (CID 23600256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).