4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium

C9H10N3Y- — CID 59708926

IUPAC4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
SMILES[3H]c1c(C)n(C)c2n[c-]nc(C)c12.[Y]
InChIInChI=1S/C9H10N3.Y/c1-6-4-8-7(2)10-5-11-9(8)12(6)3;/h4H,1-3H3;/q-1;/i4T;
InChIKeyJZTVWIOUJANRDJ-BRGIFKCHSA-N
MW251.11 g/mol
LogP1.38
Rot. Bonds

About 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium

4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium (PubChem CID 59708926) has the molecular formula C9H10N3Y- and a molecular weight of 251.11 g/mol. Its IUPAC name is 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium.

Molecular Properties

Compound Name4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
PubChem CID59708926
Molecular FormulaC9H10N3Y-
Molecular Weight251.11 g/mol
Exact Mass251.00
IUPAC Name4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
SMILES[3H]c1c(C)n(C)c2n[c-]nc(C)c12.[Y]
InChIInChI=1S/C9H10N3.Y/c1-6-4-8-7(2)10-5-11-9(8)12(6)3;/h4H,1-3H3;/q-1;/i4T;
InChIKeyJZTVWIOUJANRDJ-BRGIFKCHSA-N
XLogP1.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 51.38
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

4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
(3Z)-N-(fluoromethyl)-1,5-dimethyl-3-propylidenepyrrol-2-imine
CID 173750636
6-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 142309011
2,2,5,6,8-pentamethyl-3H-imidazo[1,2-a]pyridine
CID 20677189
3,4,8,9-Tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
CID 54528064
4,5,6,7-tetramethyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 57560726
Iridium;2-(3-isocyanobenzene-6-id-1-yl)-1-methyl-4,5-dihydroimidazole
CID 57596163
4,7-Dimethyl-5-tritio-2,6-dihydropyrrolo[2,3-d]pyrimidine-2,6-diide;tungsten;yttrium
CID 59708852
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
1,4-dimethyl-2-methylidene-3-tritio-6H-pyrrolo[2,3-b]pyridine-3,6-diide;tungsten;yttrium
CID 59708879
1,4-Dimethyl-3-tritio-2,6-dihydropyrrolo[2,3-b]pyridine-2,6-diide;tungsten;yttrium
CID 59708894
2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708911

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium?
The IUPAC name of 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium (CID 59708926) is 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium.
What is the SMILES notation for 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium?
The canonical SMILES for 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium is [3H]c1c(C)n(C)c2n[c-]nc(C)c12.[Y].
What is the InChIKey of 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium?
The InChIKey is JZTVWIOUJANRDJ-BRGIFKCHSA-N. The full InChI is InChI=1S/C9H10N3.Y/c1-6-4-8-7(2)10-5-11-9(8)12(6)3;/h4H,1-3H3;/q-1;/i4T;.
What are the key properties of 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium?
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium has a molecular weight of 251.11 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium is sourced from PubChem (CID 59708926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).