1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium

C12H14N3O2Y- — CID 176600341

IUPAC1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium
SMILESCc1nnc(Cn2c[c-]c(C(C)C)cc2=O)o1.[Y]
InChIInChI=1S/C12H14N3O2.Y/c1-8(2)10-4-5-15(12(16)6-10)7-11-14-13-9(3)17-11;/h5-6,8H,7H2,1-3H3;/q-1;
InChIKeyZYDYMJZJYZWFCN-UHFFFAOYSA-N
MW321.17 g/mol
LogP1.51
Rot. Bonds3

About 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium

1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium (PubChem CID 176600341) has the molecular formula C12H14N3O2Y- and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium
PubChem CID176600341
Molecular FormulaC12H14N3O2Y-
Molecular Weight321.17 g/mol
Exact Mass321.01
IUPAC Name1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium
SMILESCc1nnc(Cn2c[c-]c(C(C)C)cc2=O)o1.[Y]
InChIInChI=1S/C12H14N3O2.Y/c1-8(2)10-4-5-15(12(16)6-10)7-11-14-13-9(3)17-11;/h5-6,8H,7H2,1-3H3;/q-1;
InChIKeyZYDYMJZJYZWFCN-UHFFFAOYSA-N
XLogP1.51
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium?
The IUPAC name of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium (CID 176600341) is 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium.
What is the SMILES notation for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium?
The canonical SMILES for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium is Cc1nnc(Cn2c[c-]c(C(C)C)cc2=O)o1.[Y].
What is the InChIKey of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium?
The InChIKey is ZYDYMJZJYZWFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N3O2.Y/c1-8(2)10-4-5-15(12(16)6-10)7-11-14-13-9(3)17-11;/h5-6,8H,7H2,1-3H3;/q-1;.
What are the key properties of 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium?
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium has a molecular weight of 321.17 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-propan-2-yl-3H-pyridin-3-id-6-one;yttrium is sourced from PubChem (CID 176600341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).