3-chloro-4-phenyl-6-piperazin-1-ylpyridazine

C14H15ClN4 — CID 174582943

IUPAC3-chloro-4-phenyl-6-piperazin-1-ylpyridazine
SMILESClc1nnc(N2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C14H15ClN4/c15-14-12(11-4-2-1-3-5-11)10-13(17-18-14)19-8-6-16-7-9-19/h1-5,10,16H,6-9H2
InChIKeyLRFJHANVIOGBOM-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.21
Rot. Bonds2

About 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine

3-chloro-4-phenyl-6-piperazin-1-ylpyridazine (PubChem CID 174582943) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-chloro-4-phenyl-6-piperazin-1-ylpyridazine
PubChem CID174582943
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name3-chloro-4-phenyl-6-piperazin-1-ylpyridazine
SMILESClc1nnc(N2CCNCC2)cc1-c1ccccc1
InChIInChI=1S/C14H15ClN4/c15-14-12(11-4-2-1-3-5-11)10-13(17-18-14)19-8-6-16-7-9-19/h1-5,10,16H,6-9H2
InChIKeyLRFJHANVIOGBOM-UHFFFAOYSA-N
XLogP2.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridazine
CID 24880031
4-(4-methylpiperazin-1-yl)-3-phenyl-6-piperazin-1-ylpyridazine
CID 139438505
1-(5-phenyl-1H-pyrazol-3-yl)piperazine
CID 55146910
4-phenyl-6-piperazin-1-yl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 44610596
7-chloro-6-phenyl-4-piperazin-1-ylquinazoline
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1-(5-phenyl-1H-pyrazol-3-yl)-1,4-diazepane;hydrochloride
CID 154883656
2-(2-fluorophenyl)-4-phenyl-6-piperazin-1-ylpyrimidine
CID 56766882
2-phenyl-6-piperazin-1-ylpyrimidine-4-carboxamide
CID 141154526
1-(3,4-dimethyl-5-phenylphenyl)piperazine
CID 20680417
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681
2-phenyl-6-(2-piperazin-1-ylphenyl)benzamide
CID 69412038
3-chloro-6-phenyl-4-pyridin-4-ylpyridazine
CID 86242065

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine?
The IUPAC name of 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine (CID 174582943) is 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine?
The canonical SMILES for 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine is Clc1nnc(N2CCNCC2)cc1-c1ccccc1.
What is the InChIKey of 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine?
The InChIKey is LRFJHANVIOGBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-14-12(11-4-2-1-3-5-11)10-13(17-18-14)19-8-6-16-7-9-19/h1-5,10,16H,6-9H2.
What are the key properties of 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine?
3-chloro-4-phenyl-6-piperazin-1-ylpyridazine has a molecular weight of 274.75 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-phenyl-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 174582943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).