1-(6-methylpyridazin-3-yl)propane-1,2,3-triol

C8H12N2O3 — CID 170817328

IUPAC1-(6-methylpyridazin-3-yl)propane-1,2,3-triol
SMILESCc1ccc(C(O)C(O)CO)nn1
InChIInChI=1S/C8H12N2O3/c1-5-2-3-6(10-9-5)8(13)7(12)4-11/h2-3,7-8,11-13H,4H2,1H3
InChIKeyILYHBQRIPTUYJF-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.83
Rot. Bonds3

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

1-(6-methylpyridazin-3-yl)propane-1,2,3-triol (PubChem CID 170817328) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)propane-1,2,3-triol
PubChem CID170817328
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(6-methylpyridazin-3-yl)propane-1,2,3-triol
SMILESCc1ccc(C(O)C(O)CO)nn1
InChIInChI=1S/C8H12N2O3/c1-5-2-3-6(10-9-5)8(13)7(12)4-11/h2-3,7-8,11-13H,4H2,1H3
InChIKeyILYHBQRIPTUYJF-UHFFFAOYSA-N
XLogP-0.83
TPSA86.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6-Methylpyridazin-3-yl)methanol
CID 53420938
(6-(Trifluoromethyl)pyridazin-3-yl)methanol
CID 138110427
(Pyridazine-3,6-diyl)dimethanol
CID 15275423
1-[6-(Trifluoromethyl)pyridazin-3-yl]ethanol
CID 124116982
6-(Difluoromethyl)-3-pyridazinemethanol
CID 164861652
1-[6-(Trifluoromethyl)pyridazin-3-yl]butan-2-ol
CID 81837387
1-Methoxy-3-[6-(trifluoromethyl)pyridazin-3-yl]propan-2-ol
CID 81837725
1-[6-(Trifluoromethyl)pyridazin-3-yl]propan-2-ol
CID 81837779
1-[6-(Trifluoromethyl)pyridazin-3-yl]pentan-2-ol
CID 81837805
Cyclopropyl-[6-(trifluoromethyl)pyridazin-3-yl]methanol
CID 175667315
2-[6-(2-Hydroxyethyl)pyridazin-3-yl]ethanol
CID 23448472
2-(6-Tert-butylpyridazin-3-yl)propan-2-ol
CID 57910800

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol?
The IUPAC name of 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol (CID 170817328) is 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol is Cc1ccc(C(O)C(O)CO)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol?
The InChIKey is ILYHBQRIPTUYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5-2-3-6(10-9-5)8(13)7(12)4-11/h2-3,7-8,11-13H,4H2,1H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol?
1-(6-methylpyridazin-3-yl)propane-1,2,3-triol has a molecular weight of 184.19 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)propane-1,2,3-triol is sourced from PubChem (CID 170817328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).