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

C14H13ClN6 — CID 15124573

IUPAC2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C14H13ClN6/c15-12-3-4-13(19-18-12)20-6-8-21(9-7-20)14-11(10-16)2-1-5-17-14/h1-5H,6-9H2
InChIKeyFXGUQAOSDOJEET-UHFFFAOYSA-N
MW300.75 g/mol
LogP1.72
Rot. Bonds2

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

2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 15124573) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID15124573
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C14H13ClN6/c15-12-3-4-13(19-18-12)20-6-8-21(9-7-20)14-11(10-16)2-1-5-17-14/h1-5H,6-9H2
InChIKeyFXGUQAOSDOJEET-UHFFFAOYSA-N
XLogP1.72
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile (CID 15124573) is 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is FXGUQAOSDOJEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c15-12-3-4-13(19-18-12)20-6-8-21(9-7-20)14-11(10-16)2-1-5-17-14/h1-5H,6-9H2.
What are the key properties of 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 300.75 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 15124573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).