(4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C13H17N3O — CID 71576767

IUPAC(4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCNc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C13H17N3O/c1-3-14-11-6-4-10(5-7-11)13-9(2)8-12(17)15-16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyWKDRHBJHDPLMKE-SECBINFHSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds3

About (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

(4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 71576767) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID71576767
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCCNc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C13H17N3O/c1-3-14-11-6-4-10(5-7-11)13-9(2)8-12(17)15-16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyWKDRHBJHDPLMKE-SECBINFHSA-N
XLogP1.98
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 71576767) is (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CCNc1ccc(C2=NNC(=O)C[C@H]2C)cc1.
What is the InChIKey of (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is WKDRHBJHDPLMKE-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-14-11-6-4-10(5-7-11)13-9(2)8-12(17)15-16-13/h4-7,9,14H,3,8H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
(4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 231.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-(ethylamino)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 71576767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).