[2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol

C16H19N3O — CID 50951140

IUPAC[2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccccc1-c1ccc(NC2CCCC2)nn1
InChIInChI=1S/C16H19N3O/c20-11-12-5-1-4-8-14(12)15-9-10-16(19-18-15)17-13-6-2-3-7-13/h1,4-5,8-10,13,20H,2-3,6-7,11H2,(H,17,19)
InChIKeyLEAGRRZFWJLDLG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.99
Rot. Bonds4

About [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol

[2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol (PubChem CID 50951140) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol
PubChem CID50951140
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol
SMILESOCc1ccccc1-c1ccc(NC2CCCC2)nn1
InChIInChI=1S/C16H19N3O/c20-11-12-5-1-4-8-14(12)15-9-10-16(19-18-15)17-13-6-2-3-7-13/h1,4-5,8-10,13,20H,2-3,6-7,11H2,(H,17,19)
InChIKeyLEAGRRZFWJLDLG-UHFFFAOYSA-N
XLogP2.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butanol, 4-((4-methyl-6-phenyl-3-pyridazinyl)amino)-, hydrochloride
CID 6410638
[3-(2-Morpholin-4-yl-ethylamino)-6-phenyl-pyridazin-4-yl]-methanol; hydrochloride
CID 44377194
3-[[2-(Methoxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 34002514
[3-(2-Morpholin-4-ylethylamino)-6-phenylpyridazin-4-yl]methanol;hydrochloride
CID 45262789
[2-Fluoro-5-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanol
CID 50965868
[4-[(3,4-Diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-ylamino)methyl]oxan-4-yl]methanol
CID 122154696
[(2R)-1-[3-[(6-phenylpyridazin-3-yl)amino]propyl]piperidin-2-yl]methanol
CID 171359933
4-[(4-Methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol
CID 6410639
2-[(4,6-Diphenylpyridazin-3-yl)amino]ethanol
CID 6410641
Phenyl-[6-piperazin-1-yl-3-(trifluoromethyl)pyridazin-4-yl]methanol
CID 58257836
[3-[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]phenyl]methanol
CID 68231590
[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]methanol
CID 68232475

Frequently Asked Questions

What is the IUPAC name of [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol?
The IUPAC name of [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol (CID 50951140) is [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol.
What is the SMILES notation for [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol?
The canonical SMILES for [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol is OCc1ccccc1-c1ccc(NC2CCCC2)nn1.
What is the InChIKey of [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol?
The InChIKey is LEAGRRZFWJLDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-11-12-5-1-4-8-14(12)15-9-10-16(19-18-15)17-13-6-2-3-7-13/h1,4-5,8-10,13,20H,2-3,6-7,11H2,(H,17,19).
What are the key properties of [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol?
[2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol has a molecular weight of 269.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(cyclopentylamino)pyridazin-3-yl]phenyl]methanol is sourced from PubChem (CID 50951140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).