3-tert-butyl-1H-pyridazin-6-one;vanadium

C8H12N2OV — CID 171811569

IUPAC3-tert-butyl-1H-pyridazin-6-one;vanadium
SMILESCC(C)(C)c1ccc(=O)[nH]n1.[V]
InChIInChI=1S/C8H12N2O.V/c1-8(2,3)6-4-5-7(11)10-9-6;/h4-5H,1-3H3,(H,10,11);
InChIKeyFYJYITPJBVMECA-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.06
Rot. Bonds

About 3-tert-butyl-1H-pyridazin-6-one;vanadium

3-tert-butyl-1H-pyridazin-6-one;vanadium (PubChem CID 171811569) has the molecular formula C8H12N2OV and a molecular weight of 203.14 g/mol. Its IUPAC name is 3-tert-butyl-1H-pyridazin-6-one;vanadium.

Molecular Properties

Compound Name3-tert-butyl-1H-pyridazin-6-one;vanadium
PubChem CID171811569
Molecular FormulaC8H12N2OV
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name3-tert-butyl-1H-pyridazin-6-one;vanadium
SMILESCC(C)(C)c1ccc(=O)[nH]n1.[V]
InChIInChI=1S/C8H12N2O.V/c1-8(2,3)6-4-5-7(11)10-9-6;/h4-5H,1-3H3,(H,10,11);
InChIKeyFYJYITPJBVMECA-UHFFFAOYSA-N
XLogP1.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1H-pyridazin-6-one;vanadium?
The IUPAC name of 3-tert-butyl-1H-pyridazin-6-one;vanadium (CID 171811569) is 3-tert-butyl-1H-pyridazin-6-one;vanadium.
What is the SMILES notation for 3-tert-butyl-1H-pyridazin-6-one;vanadium?
The canonical SMILES for 3-tert-butyl-1H-pyridazin-6-one;vanadium is CC(C)(C)c1ccc(=O)[nH]n1.[V].
What is the InChIKey of 3-tert-butyl-1H-pyridazin-6-one;vanadium?
The InChIKey is FYJYITPJBVMECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.V/c1-8(2,3)6-4-5-7(11)10-9-6;/h4-5H,1-3H3,(H,10,11);.
What are the key properties of 3-tert-butyl-1H-pyridazin-6-one;vanadium?
3-tert-butyl-1H-pyridazin-6-one;vanadium has a molecular weight of 203.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1H-pyridazin-6-one;vanadium is sourced from PubChem (CID 171811569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).