2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol

C13H15N3O — CID 137029503

IUPAC2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol
SMILESCC(C)c1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C13H15N3O/c1-8(2)10-7-11(15-16-13(10)14)9-5-3-4-6-12(9)17/h3-8,17H,1-2H3,(H2,14,16)
InChIKeyRXHPWDJPKWXCNA-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.55
Rot. Bonds2

About 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol

2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol (PubChem CID 137029503) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol
PubChem CID137029503
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol
SMILESCC(C)c1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C13H15N3O/c1-8(2)10-7-11(15-16-13(10)14)9-5-3-4-6-12(9)17/h3-8,17H,1-2H3,(H2,14,16)
InChIKeyRXHPWDJPKWXCNA-UHFFFAOYSA-N
XLogP2.55
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-amino-5-methylpyridazin-3-yl)phenol
CID 145145780
2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol
CID 168901795
2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol
CID 137029385
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol
CID 163401681
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 169079538
2-[6-amino-5-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenol
CID 152825660
2-[6-amino-5-[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]pyridazin-3-yl]phenol
CID 137029494
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
2-[6-amino-5-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridazin-3-yl]phenol
CID 137029504
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethanone;ethane
CID 160949822

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol?
The IUPAC name of 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol (CID 137029503) is 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol.
What is the SMILES notation for 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol?
The canonical SMILES for 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol is CC(C)c1cc(-c2ccccc2O)nnc1N.
What is the InChIKey of 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol?
The InChIKey is RXHPWDJPKWXCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8(2)10-7-11(15-16-13(10)14)9-5-3-4-6-12(9)17/h3-8,17H,1-2H3,(H2,14,16).
What are the key properties of 2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol?
2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol has a molecular weight of 229.28 g/mol, XLogP of 2.55, 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-propan-2-ylpyridazin-3-yl)phenol is sourced from PubChem (CID 137029503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).