3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol

C7H10ClN3O2 — CID 170829066

IUPAC3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C7H10ClN3O2/c8-6-2-1-4(10-11-6)7(13)5(12)3-9/h1-2,5,7,12-13H,3,9H2
InChIKeyPHPKHJQUEMWRBR-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.52
Rot. Bonds3

About 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol

3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol (PubChem CID 170829066) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol
PubChem CID170829066
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C7H10ClN3O2/c8-6-2-1-4(10-11-6)7(13)5(12)3-9/h1-2,5,7,12-13H,3,9H2
InChIKeyPHPKHJQUEMWRBR-UHFFFAOYSA-N
XLogP-0.52
TPSA92.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6-Chloropyridazin-3-yl)methanol hydrochloride
CID 75480741
(6-Chloropyridazin-3-yl)methanol
CID 20557609
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
2-(6-Chloropyridazin-3-yl)-2-hydroxyacetic acid
CID 88845185
1-(6-Chloro-4-methyl-pyridazin-3-yl)ethanol
CID 162520429
(4,6-Dichloropyridazin-3-yl)methanol
CID 164907111
1-(5-Chloropyridazin-3-yl)ethan-1-ol
CID 164921225
1-(6-Chloropyridazin-3-yl)ethanol
CID 172106312
4-Amino-1-(6-methylpyridazin-3-yl)butan-1-ol
CID 82408293
2-Amino-1-(6-methylpyridazin-3-yl)ethanol
CID 112489873

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol?
The IUPAC name of 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol (CID 170829066) is 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol is NCC(O)C(O)c1ccc(Cl)nn1.
What is the InChIKey of 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol?
The InChIKey is PHPKHJQUEMWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-6-2-1-4(10-11-6)7(13)5(12)3-9/h1-2,5,7,12-13H,3,9H2.
What are the key properties of 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol?
3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol has a molecular weight of 203.63 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-chloropyridazin-3-yl)propane-1,2-diol is sourced from PubChem (CID 170829066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).