[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol

C11H14N4O2 — CID 116802649

IUPAC[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol
SMILESCCCn1cc(Oc2ccc(CO)nn2)cn1
InChIInChI=1S/C11H14N4O2/c1-2-5-15-7-10(6-12-15)17-11-4-3-9(8-16)13-14-11/h3-4,6-7,16H,2,5,8H2,1H3
InChIKeyYMMHSQFFCUILDB-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.37
Rot. Bonds5

About [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol

[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol (PubChem CID 116802649) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol
PubChem CID116802649
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol
SMILESCCCn1cc(Oc2ccc(CO)nn2)cn1
InChIInChI=1S/C11H14N4O2/c1-2-5-15-7-10(6-12-15)17-11-4-3-9(8-16)13-14-11/h3-4,6-7,16H,2,5,8H2,1H3
InChIKeyYMMHSQFFCUILDB-UHFFFAOYSA-N
XLogP1.37
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol?
The IUPAC name of [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol (CID 116802649) is [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol.
What is the SMILES notation for [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol?
The canonical SMILES for [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol is CCCn1cc(Oc2ccc(CO)nn2)cn1.
What is the InChIKey of [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol?
The InChIKey is YMMHSQFFCUILDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-5-15-7-10(6-12-15)17-11-4-3-9(8-16)13-14-11/h3-4,6-7,16H,2,5,8H2,1H3.
What are the key properties of [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol?
[6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol has a molecular weight of 234.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propylpyrazol-4-yl)oxypyridazin-3-yl]methanol is sourced from PubChem (CID 116802649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).