5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane

C22H32N2O2 — CID 143897180

IUPAC5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane
SMILESCC1CCC1.CCCc1ccc(Oc2cnn(C)c(=O)c2)cc1CCC
InChIInChI=1S/C17H22N2O2.C5H10/c1-4-6-13-8-9-15(10-14(13)7-5-2)21-16-11-17(20)19(3)18-12-16;1-5-3-2-4-5/h8-12H,4-7H2,1-3H3;5H,2-4H2,1H3
InChIKeyZVTFDAJWGSWQKA-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.28
Rot. Bonds6

About 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane

5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane (PubChem CID 143897180) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane.

Molecular Properties

Compound Name5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane
PubChem CID143897180
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane
SMILESCC1CCC1.CCCc1ccc(Oc2cnn(C)c(=O)c2)cc1CCC
InChIInChI=1S/C17H22N2O2.C5H10/c1-4-6-13-8-9-15(10-14(13)7-5-2)21-16-11-17(20)19(3)18-12-16;1-5-3-2-4-5/h8-12H,4-7H2,1-3H3;5H,2-4H2,1H3
InChIKeyZVTFDAJWGSWQKA-UHFFFAOYSA-N
XLogP5.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane?
The IUPAC name of 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane (CID 143897180) is 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane.
What is the SMILES notation for 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane?
The canonical SMILES for 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane is CC1CCC1.CCCc1ccc(Oc2cnn(C)c(=O)c2)cc1CCC.
What is the InChIKey of 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane?
The InChIKey is ZVTFDAJWGSWQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.C5H10/c1-4-6-13-8-9-15(10-14(13)7-5-2)21-16-11-17(20)19(3)18-12-16;1-5-3-2-4-5/h8-12H,4-7H2,1-3H3;5H,2-4H2,1H3.
What are the key properties of 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane?
5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane has a molecular weight of 356.51 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dipropylphenoxy)-2-methylpyridazin-3-one;methylcyclobutane is sourced from PubChem (CID 143897180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).