3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

C13H13N5 — CID 62487095

IUPAC3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(-n2ccc(C3CC3)n2)c(C#N)c1C
InChIInChI=1S/C13H13N5/c1-8-9(2)15-16-13(11(8)7-14)18-6-5-12(17-18)10-3-4-10/h5-6,10H,3-4H2,1-2H3
InChIKeyHZAAOSIWFXZZNA-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.03
Rot. Bonds2

About 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile

3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 62487095) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID62487095
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(-n2ccc(C3CC3)n2)c(C#N)c1C
InChIInChI=1S/C13H13N5/c1-8-9(2)15-16-13(11(8)7-14)18-6-5-12(17-18)10-3-4-10/h5-6,10H,3-4H2,1-2H3
InChIKeyHZAAOSIWFXZZNA-UHFFFAOYSA-N
XLogP2.03
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile (CID 62487095) is 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(-n2ccc(C3CC3)n2)c(C#N)c1C.
What is the InChIKey of 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is HZAAOSIWFXZZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-8-9(2)15-16-13(11(8)7-14)18-6-5-12(17-18)10-3-4-10/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile?
3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropylpyrazol-1-yl)-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 62487095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).