4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one

C16H20N2O2 — CID 82446598

IUPAC4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C16H20N2O2/c1-4-10-18-15(19)13(16(2,3)20)11-14(17-18)12-8-6-5-7-9-12/h5-9,11,20H,4,10H2,1-3H3
InChIKeySQBFNPSYGUHDSN-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds4

About 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one

4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one (PubChem CID 82446598) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
PubChem CID82446598
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one
SMILESCCCn1nc(-c2ccccc2)cc(C(C)(C)O)c1=O
InChIInChI=1S/C16H20N2O2/c1-4-10-18-15(19)13(16(2,3)20)11-14(17-18)12-8-6-5-7-9-12/h5-9,11,20H,4,10H2,1-3H3
InChIKeySQBFNPSYGUHDSN-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one (CID 82446598) is 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one is CCCn1nc(-c2ccccc2)cc(C(C)(C)O)c1=O.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one?
The InChIKey is SQBFNPSYGUHDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-10-18-15(19)13(16(2,3)20)11-14(17-18)12-8-6-5-7-9-12/h5-9,11,20H,4,10H2,1-3H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one?
4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one has a molecular weight of 272.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-6-phenyl-2-propylpyridazin-3-one is sourced from PubChem (CID 82446598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).