4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile

C17H16N8 — CID 163346364

IUPAC4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)ccn1
InChIInChI=1S/C17H16N8/c18-13-14-12-15(4-6-19-14)23-8-10-24(11-9-23)16-2-3-17(22-21-16)25-7-1-5-20-25/h1-7,12H,8-11H2
InChIKeyLHMGFJLCYXWYCX-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.26
Rot. Bonds3

About 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile

4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 163346364) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID163346364
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)ccn1
InChIInChI=1S/C17H16N8/c18-13-14-12-15(4-6-19-14)23-8-10-24(11-9-23)16-2-3-17(22-21-16)25-7-1-5-20-25/h1-7,12H,8-11H2
InChIKeyLHMGFJLCYXWYCX-UHFFFAOYSA-N
XLogP1.26
TPSA86.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile (CID 163346364) is 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCN(c3ccc(-n4cccn4)nn3)CC2)ccn1.
What is the InChIKey of 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is LHMGFJLCYXWYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c18-13-14-12-15(4-6-19-14)23-8-10-24(11-9-23)16-2-3-17(22-21-16)25-7-1-5-20-25/h1-7,12H,8-11H2.
What are the key properties of 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile?
4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 332.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 163346364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).