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

C9H15N3O2 — CID 171857418

IUPAC3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(C)nn1
InChIInChI=1S/C9H15N3O2/c1-6-3-4-7(12-11-6)9(14)8(13)5-10-2/h3-4,8-10,13-14H,5H2,1-2H3
InChIKeyOQVLWLCAZIDLNL-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.60
Rot. Bonds4

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

3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol (PubChem CID 171857418) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol
PubChem CID171857418
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(C)nn1
InChIInChI=1S/C9H15N3O2/c1-6-3-4-7(12-11-6)9(14)8(13)5-10-2/h3-4,8-10,13-14H,5H2,1-2H3
InChIKeyOQVLWLCAZIDLNL-UHFFFAOYSA-N
XLogP-0.60
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The IUPAC name of 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol (CID 171857418) is 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol.
What is the SMILES notation for 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The canonical SMILES for 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol is CNCC(O)C(O)c1ccc(C)nn1.
What is the InChIKey of 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The InChIKey is OQVLWLCAZIDLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-3-4-7(12-11-6)9(14)8(13)5-10-2/h3-4,8-10,13-14H,5H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol?
3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol has a molecular weight of 197.24 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(6-methylpyridazin-3-yl)propane-1,2-diol is sourced from PubChem (CID 171857418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).