2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol

C13H18N2O — CID 163625247

IUPAC2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol
SMILESCC1NN(C)C(C)(O)C=C1c1ccccc1
InChIInChI=1S/C13H18N2O/c1-10-12(11-7-5-4-6-8-11)9-13(2,16)15(3)14-10/h4-10,14,16H,1-3H3
InChIKeyHRLROFJLTGEZQD-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.62
Rot. Bonds1

About 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol

2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol (PubChem CID 163625247) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol.

Molecular Properties

Compound Name2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol
PubChem CID163625247
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol
SMILESCC1NN(C)C(C)(O)C=C1c1ccccc1
InChIInChI=1S/C13H18N2O/c1-10-12(11-7-5-4-6-8-11)9-13(2,16)15(3)14-10/h4-10,14,16H,1-3H3
InChIKeyHRLROFJLTGEZQD-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1,1-Dimethyl-2-(4-phenylbutan-2-yl)hydrazine
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(Z)-2-methyl-5-[[(1R)-1-phenylethyl]amino]pent-3-en-2-ol
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1,1-Dimethyl-2-(1-phenylethyl)hydrazine
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2-(6-Benzylidenecyclohexa-2,4-dien-1-yl)-1,1-dimethylhydrazine
CID 66765819
1,1-dimethyl-2-[(1S)-1-phenylethyl]hydrazine
CID 89184220
(4R)-4-(2-phenylethylamino)cyclohexa-1,5-dien-1-ol
CID 89513115
(3-Methyl-1-phenylbut-3-en-2-yl)hydrazine
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3-Methyl-5-(2-phenylethyl)-1,2-dihydropyrazol-3-ol
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CID 145573188

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol?
The IUPAC name of 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol (CID 163625247) is 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol.
What is the SMILES notation for 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol?
The canonical SMILES for 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol is CC1NN(C)C(C)(O)C=C1c1ccccc1.
What is the InChIKey of 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol?
The InChIKey is HRLROFJLTGEZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-12(11-7-5-4-6-8-11)9-13(2,16)15(3)14-10/h4-10,14,16H,1-3H3.
What are the key properties of 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol?
2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol has a molecular weight of 218.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-5-phenyl-1,6-dihydropyridazin-3-ol is sourced from PubChem (CID 163625247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).