5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile

C10H9N5 — CID 55138325

IUPAC5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile
SMILESCc1nnc(-n2cccn2)c(C#N)c1C
InChIInChI=1S/C10H9N5/c1-7-8(2)13-14-10(9(7)6-11)15-5-3-4-12-15/h3-5H,1-2H3
InChIKeySXYNZAWUSFYNGF-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.15
Rot. Bonds1

About 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile

5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile (PubChem CID 55138325) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile
PubChem CID55138325
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile
SMILESCc1nnc(-n2cccn2)c(C#N)c1C
InChIInChI=1S/C10H9N5/c1-7-8(2)13-14-10(9(7)6-11)15-5-3-4-12-15/h3-5H,1-2H3
InChIKeySXYNZAWUSFYNGF-UHFFFAOYSA-N
XLogP1.15
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile (CID 55138325) is 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile is Cc1nnc(-n2cccn2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile?
The InChIKey is SXYNZAWUSFYNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-7-8(2)13-14-10(9(7)6-11)15-5-3-4-12-15/h3-5H,1-2H3.
What are the key properties of 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile?
5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-pyrazol-1-ylpyridazine-4-carbonitrile is sourced from PubChem (CID 55138325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).