4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium

C12H13N2OY- — CID 159997452

IUPAC4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium
SMILESCc1[c-]cc(C2=NNC(=O)CC2C)cc1.[Y]
InChIInChI=1S/C12H13N2O.Y/c1-8-3-5-10(6-4-8)12-9(2)7-11(15)13-14-12;/h3,5-6,9H,7H2,1-2H3,(H,13,15);/q-1;
InChIKeyCKOIDAGZEGTPII-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.65
Rot. Bonds1

About 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium

4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium (PubChem CID 159997452) has the molecular formula C12H13N2OY- and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium.

Molecular Properties

Compound Name4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium
PubChem CID159997452
Molecular FormulaC12H13N2OY-
Molecular Weight290.16 g/mol
Exact Mass290.01
IUPAC Name4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium
SMILESCc1[c-]cc(C2=NNC(=O)CC2C)cc1.[Y]
InChIInChI=1S/C12H13N2O.Y/c1-8-3-5-10(6-4-8)12-9(2)7-11(15)13-14-12;/h3,5-6,9H,7H2,1-2H3,(H,13,15);/q-1;
InChIKeyCKOIDAGZEGTPII-UHFFFAOYSA-N
XLogP1.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-6-ethyl-7-fluorocyclohepta-1,3,6-trien-1-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 155485908
5-[(3E,5Z)-6-fluoro-5-(trifluoromethyl)hepta-1,3,5-trien-3-yl]-3,4-diazabicyclo[4.1.0]hepta-4,6-dien-2-one
CID 153647452
4-Allyl-6-methyl-4,5-dihydropyridazin-3(2H)-one
CID 13295914
5-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)indol-2-one
CID 54210904
4,4a,6a,10a-tetrahydro-2H-benzo[h]cinnolin-3-one
CID 57080960
4-methyl-3-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 68248453
4-Prop-1-enyl-3-propyl-1,4-dihydropyrazol-5-one
CID 69193772
4-methyl-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 86051160
4-[(3E,5E)-octa-3,5-dien-2-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 88386196
4-[(4E,6E)-nona-4,6-dien-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 88388744
4-methyl-3-(4-methyl-6-sulfinylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 88601390
4-Propan-2-yl-2,7a-dihydrocyclopenta[d]pyridazin-1-one
CID 134578028

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium?
The IUPAC name of 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium (CID 159997452) is 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium.
What is the SMILES notation for 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium?
The canonical SMILES for 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium is Cc1[c-]cc(C2=NNC(=O)CC2C)cc1.[Y].
What is the InChIKey of 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium?
The InChIKey is CKOIDAGZEGTPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N2O.Y/c1-8-3-5-10(6-4-8)12-9(2)7-11(15)13-14-12;/h3,5-6,9H,7H2,1-2H3,(H,13,15);/q-1;.
What are the key properties of 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium?
4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium has a molecular weight of 290.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylbenzene-5-id-1-yl)-4,5-dihydro-1H-pyridazin-6-one;yttrium is sourced from PubChem (CID 159997452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).