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

C8H12ClN3O2 — CID 171858988

IUPAC1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O2/c1-10-4-6(13)8(14)5-2-3-7(9)12-11-5/h2-3,6,8,10,13-14H,4H2,1H3
InChIKeySWBMMUWBRHTGOE-UHFFFAOYSA-N
MW217.66 g/mol
LogP-0.26
Rot. Bonds4

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

1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol (PubChem CID 171858988) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol
PubChem CID171858988
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O2/c1-10-4-6(13)8(14)5-2-3-7(9)12-11-5/h2-3,6,8,10,13-14H,4H2,1H3
InChIKeySWBMMUWBRHTGOE-UHFFFAOYSA-N
XLogP-0.26
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol (CID 171858988) is 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ccc(Cl)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol?
The InChIKey is SWBMMUWBRHTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-10-4-6(13)8(14)5-2-3-7(9)12-11-5/h2-3,6,8,10,13-14H,4H2,1H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol?
1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol has a molecular weight of 217.66 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171858988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).