6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile

C13H16N6 — CID 55051055

IUPAC6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCCn1nc(C)c(-c2ccc(C#N)c(NN)n2)c1C
InChIInChI=1S/C13H16N6/c1-4-19-9(3)12(8(2)18-19)11-6-5-10(7-14)13(16-11)17-15/h5-6H,4,15H2,1-3H3,(H,16,17)
InChIKeySCBQWZBSQCPMDM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.74
Rot. Bonds3

About 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile

6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile (PubChem CID 55051055) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile
PubChem CID55051055
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile
SMILESCCn1nc(C)c(-c2ccc(C#N)c(NN)n2)c1C
InChIInChI=1S/C13H16N6/c1-4-19-9(3)12(8(2)18-19)11-6-5-10(7-14)13(16-11)17-15/h5-6H,4,15H2,1-3H3,(H,16,17)
InChIKeySCBQWZBSQCPMDM-UHFFFAOYSA-N
XLogP1.74
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile?
The IUPAC name of 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile (CID 55051055) is 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile?
The canonical SMILES for 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile is CCn1nc(C)c(-c2ccc(C#N)c(NN)n2)c1C.
What is the InChIKey of 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile?
The InChIKey is SCBQWZBSQCPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-4-19-9(3)12(8(2)18-19)11-6-5-10(7-14)13(16-11)17-15/h5-6H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile?
6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-hydrazinylpyridine-3-carbonitrile is sourced from PubChem (CID 55051055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).