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

C8H12N2O2 — CID 122701590

IUPAC1-(6-methylpyridazin-3-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(C)O)nn1
InChIInChI=1S/C8H12N2O2/c1-5-3-4-7(10-9-5)8(12)6(2)11/h3-4,6,8,11-12H,1-2H3
InChIKeyCMLPGEMNWQQKTM-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.20
Rot. Bonds2

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

1-(6-methylpyridazin-3-yl)propane-1,2-diol (PubChem CID 122701590) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(6-methylpyridazin-3-yl)propane-1,2-diol.

Molecular Properties

Compound Name1-(6-methylpyridazin-3-yl)propane-1,2-diol
PubChem CID122701590
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(6-methylpyridazin-3-yl)propane-1,2-diol
SMILESCc1ccc(C(O)C(C)O)nn1
InChIInChI=1S/C8H12N2O2/c1-5-3-4-7(10-9-5)8(12)6(2)11/h3-4,6,8,11-12H,1-2H3
InChIKeyCMLPGEMNWQQKTM-UHFFFAOYSA-N
XLogP0.20
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The IUPAC name of 1-(6-methylpyridazin-3-yl)propane-1,2-diol (CID 122701590) is 1-(6-methylpyridazin-3-yl)propane-1,2-diol.
What is the SMILES notation for 1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The canonical SMILES for 1-(6-methylpyridazin-3-yl)propane-1,2-diol is Cc1ccc(C(O)C(C)O)nn1.
What is the InChIKey of 1-(6-methylpyridazin-3-yl)propane-1,2-diol?
The InChIKey is CMLPGEMNWQQKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5-3-4-7(10-9-5)8(12)6(2)11/h3-4,6,8,11-12H,1-2H3.
What are the key properties of 1-(6-methylpyridazin-3-yl)propane-1,2-diol?
1-(6-methylpyridazin-3-yl)propane-1,2-diol has a molecular weight of 168.20 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyridazin-3-yl)propane-1,2-diol is sourced from PubChem (CID 122701590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).