1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol

C7H10ClN3O2 — CID 171861552

IUPAC1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol
SMILESNc1ccc(C(O)C(O)CCl)nn1
InChIInChI=1S/C7H10ClN3O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,3H2,(H2,9,11)
InChIKeyCCZBNRZGNZWSPN-UHFFFAOYSA-N
MW203.63 g/mol
LogP-0.31
Rot. Bonds3

About 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol

1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol (PubChem CID 171861552) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol.

Molecular Properties

Compound Name1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol
PubChem CID171861552
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Name1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol
SMILESNc1ccc(C(O)C(O)CCl)nn1
InChIInChI=1S/C7H10ClN3O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,3H2,(H2,9,11)
InChIKeyCCZBNRZGNZWSPN-UHFFFAOYSA-N
XLogP-0.31
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 ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol?
The IUPAC name of 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol (CID 171861552) is 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol.
What is the SMILES notation for 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol?
The canonical SMILES for 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol is Nc1ccc(C(O)C(O)CCl)nn1.
What is the InChIKey of 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol?
The InChIKey is CCZBNRZGNZWSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c8-3-5(12)7(13)4-1-2-6(9)11-10-4/h1-2,5,7,12-13H,3H2,(H2,9,11).
What are the key properties of 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol?
1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol has a molecular weight of 203.63 g/mol, XLogP of -0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyridazin-3-yl)-3-chloropropane-1,2-diol is sourced from PubChem (CID 171861552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).