(4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol

C15H23N3O — CID 134250174

IUPAC(4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol
SMILESCCN(CC)c1ccc(C2=NNC(O)C[C@H]2C)cc1
InChIInChI=1S/C15H23N3O/c1-4-18(5-2)13-8-6-12(7-9-13)15-11(3)10-14(19)16-17-15/h6-9,11,14,16,19H,4-5,10H2,1-3H3/t11-,14?/m1/s1
InChIKeyIUMWESNDZKJZHW-YNODCEANSA-N
MW261.37 g/mol
LogP2.18
Rot. Bonds4

About (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol

(4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol (PubChem CID 134250174) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol.

Molecular Properties

Compound Name(4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol
PubChem CID134250174
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol
SMILESCCN(CC)c1ccc(C2=NNC(O)C[C@H]2C)cc1
InChIInChI=1S/C15H23N3O/c1-4-18(5-2)13-8-6-12(7-9-13)15-11(3)10-14(19)16-17-15/h6-9,11,14,16,19H,4-5,10H2,1-3H3/t11-,14?/m1/s1
InChIKeyIUMWESNDZKJZHW-YNODCEANSA-N
XLogP2.18
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol?
The IUPAC name of (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol (CID 134250174) is (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol.
What is the SMILES notation for (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol?
The canonical SMILES for (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol is CCN(CC)c1ccc(C2=NNC(O)C[C@H]2C)cc1.
What is the InChIKey of (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol?
The InChIKey is IUMWESNDZKJZHW-YNODCEANSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-18(5-2)13-8-6-12(7-9-13)15-11(3)10-14(19)16-17-15/h6-9,11,14,16,19H,4-5,10H2,1-3H3/t11-,14?/m1/s1.
What are the key properties of (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol?
(4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol has a molecular weight of 261.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol is sourced from PubChem (CID 134250174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).