3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile

C10H9N5O — CID 81346295

IUPAC3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile
SMILESCc1cc(Oc2nnccc2C#N)n(C)n1
InChIInChI=1S/C10H9N5O/c1-7-5-9(15(2)14-7)16-10-8(6-11)3-4-12-13-10/h3-5H,1-2H3
InChIKeyKQZQFKPSRMYMIP-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.18
Rot. Bonds2

About 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile

3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile (PubChem CID 81346295) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile
PubChem CID81346295
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile
SMILESCc1cc(Oc2nnccc2C#N)n(C)n1
InChIInChI=1S/C10H9N5O/c1-7-5-9(15(2)14-7)16-10-8(6-11)3-4-12-13-10/h3-5H,1-2H3
InChIKeyKQZQFKPSRMYMIP-UHFFFAOYSA-N
XLogP1.18
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile (CID 81346295) is 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile is Cc1cc(Oc2nnccc2C#N)n(C)n1.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile?
The InChIKey is KQZQFKPSRMYMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-7-5-9(15(2)14-7)16-10-8(6-11)3-4-12-13-10/h3-5H,1-2H3.
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile?
3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile has a molecular weight of 215.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)oxypyridazine-4-carbonitrile is sourced from PubChem (CID 81346295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).