(6-amino-5-chloropyridazin-3-yl)methanol

C5H6ClN3O — CID 117104935

IUPAC(6-amino-5-chloropyridazin-3-yl)methanol
SMILESNc1nnc(CO)cc1Cl
InChIInChI=1S/C5H6ClN3O/c6-4-1-3(2-10)8-9-5(4)7/h1,10H,2H2,(H2,7,9)
InChIKeyVLXKHGWIMNSUAC-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.20
Rot. Bonds1

About (6-amino-5-chloropyridazin-3-yl)methanol

(6-amino-5-chloropyridazin-3-yl)methanol (PubChem CID 117104935) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is (6-amino-5-chloropyridazin-3-yl)methanol.

Molecular Properties

Compound Name(6-amino-5-chloropyridazin-3-yl)methanol
PubChem CID117104935
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name(6-amino-5-chloropyridazin-3-yl)methanol
SMILESNc1nnc(CO)cc1Cl
InChIInChI=1S/C5H6ClN3O/c6-4-1-3(2-10)8-9-5(4)7/h1,10H,2H2,(H2,7,9)
InChIKeyVLXKHGWIMNSUAC-UHFFFAOYSA-N
XLogP0.20
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-Chloropyridazin-3-yl)methanol hydrochloride
CID 75480741
(6-Aminopyridazin-3-yl)methanol hydrochloride
CID 126797015
(6-Chloropyridazin-3-yl)methanol
CID 20557609
(6-Aminopyridazin-3-yl)methanol
CID 20557894
1-(6-Chloropyridazin-3-yl)-2,2,2-trifluoroethanol
CID 112757096
(1S)-1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanol
CID 124676110
(1R)-1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanol
CID 124676111
(6-Chloro-4-methylpyridazin-3-yl)methanol
CID 58717045
1-(6-Aminopyridazin-3-yl)ethenol
CID 118425956
(1S)-1-(6-amino-5-chloropyridazin-3-yl)-2-(tert-butylamino)ethanol
CID 155461851
(6-Chloro-5-methylpyridazin-3-yl)methanol
CID 162520179
(4-Amino-6-chloro-pyridazin-3-yl)methanol
CID 164907065

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-chloropyridazin-3-yl)methanol?
The IUPAC name of (6-amino-5-chloropyridazin-3-yl)methanol (CID 117104935) is (6-amino-5-chloropyridazin-3-yl)methanol.
What is the SMILES notation for (6-amino-5-chloropyridazin-3-yl)methanol?
The canonical SMILES for (6-amino-5-chloropyridazin-3-yl)methanol is Nc1nnc(CO)cc1Cl.
What is the InChIKey of (6-amino-5-chloropyridazin-3-yl)methanol?
The InChIKey is VLXKHGWIMNSUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c6-4-1-3(2-10)8-9-5(4)7/h1,10H,2H2,(H2,7,9).
What are the key properties of (6-amino-5-chloropyridazin-3-yl)methanol?
(6-amino-5-chloropyridazin-3-yl)methanol has a molecular weight of 159.58 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-5-chloropyridazin-3-yl)methanol is sourced from PubChem (CID 117104935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).