3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine

C21H27ClN4 — CID 142271744

IUPAC3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN4/c1-16-15-20(23-24-21(16)17-7-9-18(22)10-8-17)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h7-10,15,19H,2-6,11-14H2,1H3
InChIKeyKYINTEMETGXKFE-UHFFFAOYSA-N
MW370.93 g/mol
LogP4.56
Rot. Bonds3

About 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine

3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine (PubChem CID 142271744) has the molecular formula C21H27ClN4 and a molecular weight of 370.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine
PubChem CID142271744
Molecular FormulaC21H27ClN4
Molecular Weight370.93 g/mol
Exact Mass370.19
IUPAC Name3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine
SMILESCc1cc(N2CCN(C3CCCCC3)CC2)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H27ClN4/c1-16-15-20(23-24-21(16)17-7-9-18(22)10-8-17)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h7-10,15,19H,2-6,11-14H2,1H3
InChIKeyKYINTEMETGXKFE-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine?
The IUPAC name of 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine (CID 142271744) is 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine is Cc1cc(N2CCN(C3CCCCC3)CC2)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine?
The InChIKey is KYINTEMETGXKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4/c1-16-15-20(23-24-21(16)17-7-9-18(22)10-8-17)26-13-11-25(12-14-26)19-5-3-2-4-6-19/h7-10,15,19H,2-6,11-14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine?
3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine has a molecular weight of 370.93 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(4-cyclohexylpiperazin-1-yl)-4-methylpyridazine is sourced from PubChem (CID 142271744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).