ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium

C9H12N3OY- — CID 156793236

IUPACethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium
SMILESCC.Cc1cn2c[c-]nc2c(=O)[nH]1.[Y]
InChIInChI=1S/C7H6N3O.C2H6.Y/c1-5-4-10-3-2-8-6(10)7(11)9-5;1-2;/h3-4H,1H3,(H,9,11);1-2H3;/q-1;;
InChIKeyAWOLDJOGKUZYHA-UHFFFAOYSA-N
MW267.12 g/mol
LogP1.15
Rot. Bonds

About ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium

ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium (PubChem CID 156793236) has the molecular formula C9H12N3OY- and a molecular weight of 267.12 g/mol. Its IUPAC name is ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium.

Molecular Properties

Compound Nameethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium
PubChem CID156793236
Molecular FormulaC9H12N3OY-
Molecular Weight267.12 g/mol
Exact Mass267.00
IUPAC Nameethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium
SMILESCC.Cc1cn2c[c-]nc2c(=O)[nH]1.[Y]
InChIInChI=1S/C7H6N3O.C2H6.Y/c1-5-4-10-3-2-8-6(10)7(11)9-5;1-2;/h3-4H,1H3,(H,9,11);1-2H3;/q-1;;
InChIKeyAWOLDJOGKUZYHA-UHFFFAOYSA-N
XLogP1.15
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium?
The IUPAC name of ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium (CID 156793236) is ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium.
What is the SMILES notation for ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium?
The canonical SMILES for ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium is CC.Cc1cn2c[c-]nc2c(=O)[nH]1.[Y].
What is the InChIKey of ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium?
The InChIKey is AWOLDJOGKUZYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N3O.C2H6.Y/c1-5-4-10-3-2-8-6(10)7(11)9-5;1-2;/h3-4H,1H3,(H,9,11);1-2H3;/q-1;;.
What are the key properties of ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium?
ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium has a molecular weight of 267.12 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2,7-dihydroimidazo[1,2-a]pyrazin-2-id-8-one;yttrium is sourced from PubChem (CID 156793236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).