6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one

C15H19N3O — CID 82442102

IUPAC6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one
SMILESCC(C)c1ccc(C(N)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C15H19N3O/c1-10(2)11-4-6-12(7-5-11)15(16)13-8-9-14(19)18(3)17-13/h4-10,15H,16H2,1-3H3
InChIKeySFYRYUTYUXWGRK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.95
Rot. Bonds3

About 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one

6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one (PubChem CID 82442102) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one
PubChem CID82442102
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one
SMILESCC(C)c1ccc(C(N)c2ccc(=O)n(C)n2)cc1
InChIInChI=1S/C15H19N3O/c1-10(2)11-4-6-12(7-5-11)15(16)13-8-9-14(19)18(3)17-13/h4-10,15H,16H2,1-3H3
InChIKeySFYRYUTYUXWGRK-UHFFFAOYSA-N
XLogP1.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one (CID 82442102) is 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one is CC(C)c1ccc(C(N)c2ccc(=O)n(C)n2)cc1.
What is the InChIKey of 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one?
The InChIKey is SFYRYUTYUXWGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)11-4-6-12(7-5-11)15(16)13-8-9-14(19)18(3)17-13/h4-10,15H,16H2,1-3H3.
What are the key properties of 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one?
6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one has a molecular weight of 257.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 82442102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).