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

C8H14N4O2 — CID 171857483

IUPAC1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C8H14N4O2/c1-10-4-6(13)8(14)5-2-3-7(9)12-11-5/h2-3,6,8,10,13-14H,4H2,1H3,(H2,9,12)
InChIKeyIRKYZVSIDIUXSK-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.33
Rot. Bonds4

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

1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol (PubChem CID 171857483) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol
PubChem CID171857483
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(N)nn1
InChIInChI=1S/C8H14N4O2/c1-10-4-6(13)8(14)5-2-3-7(9)12-11-5/h2-3,6,8,10,13-14H,4H2,1H3,(H2,9,12)
InChIKeyIRKYZVSIDIUXSK-UHFFFAOYSA-N
XLogP-1.33
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol (CID 171857483) is 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ccc(N)nn1.
What is the InChIKey of 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol?
The InChIKey is IRKYZVSIDIUXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-10-4-6(13)8(14)5-2-3-7(9)12-11-5/h2-3,6,8,10,13-14H,4H2,1H3,(H2,9,12).
What are the key properties of 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol?
1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol has a molecular weight of 198.23 g/mol, XLogP of -1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyridazin-3-yl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171857483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).