2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol

C17H21N3O — CID 137029474

IUPAC2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol
SMILESCC1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C17H21N3O/c1-11-6-8-12(9-7-11)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)21/h2-5,10-12,21H,6-9H2,1H3,(H2,18,20)
InChIKeySRFDTKTZWVRQCG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.73
Rot. Bonds2

About 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol

2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol (PubChem CID 137029474) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol
PubChem CID137029474
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol
SMILESCC1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C17H21N3O/c1-11-6-8-12(9-7-11)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)21/h2-5,10-12,21H,6-9H2,1H3,(H2,18,20)
InChIKeySRFDTKTZWVRQCG-UHFFFAOYSA-N
XLogP3.73
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
Smarca2/4-IN-2
CID 136145607
2-(6-Amino-5-phenyl-pyridazin-3-yl)-4-fluoro-phenol
CID 137029413
US10308614, Example 231
CID 137029431
US10308614, Example 232
CID 137029433
2-(6-Amino-5-phenylpyridazin-3-yl)-3-fluorophenol
CID 137045915
2-(6-Amino-5-phenylpyridazin-3-yl)-6-fluorophenol
CID 137045957
Phenol, 4-(6-amino-5-methyl-3-pyridazinyl)-, monohydrochloride
CID 135770315
2-(6-(Methylamino)pyridazin-3-yl)phenol
CID 136145557
US10308614, Example 189
CID 137029365
US10308614, Example 210
CID 137029376
US10308614, Example 213
CID 137029389

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol (CID 137029474) is 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol is CC1CCC(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol?
The InChIKey is SRFDTKTZWVRQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-6-8-12(9-7-11)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)21/h2-5,10-12,21H,6-9H2,1H3,(H2,18,20).
What are the key properties of 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol?
2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol has a molecular weight of 283.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(4-methylcyclohexyl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).