3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine

C21H29N5 — CID 74237145

IUPAC3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine
SMILESCC(c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)N1CCCC1
InChIInChI=1S/C21H29N5/c1-17(25-11-3-4-12-25)18-5-7-19(8-6-18)20-9-10-21(23-22-20)26-15-13-24(2)14-16-26/h5-10,17H,3-4,11-16H2,1-2H3
InChIKeyQEXRNTIVSVVZAA-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.05
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine

3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine (PubChem CID 74237145) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine
PubChem CID74237145
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine
SMILESCC(c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)N1CCCC1
InChIInChI=1S/C21H29N5/c1-17(25-11-3-4-12-25)18-5-7-19(8-6-18)20-9-10-21(23-22-20)26-15-13-24(2)14-16-26/h5-10,17H,3-4,11-16H2,1-2H3
InChIKeyQEXRNTIVSVVZAA-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122559884
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
3-[4-(piperidin-1-ylmethyl)phenyl]-6-(4-propan-2-ylpiperazin-1-yl)pyridazine
CID 58006735
4-(6-piperidin-1-ylpyridazin-3-yl)aniline
CID 51711955
[4-[6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridazin-3-yl]phenyl]-piperidin-1-ylmethanamine
CID 174692584
3-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-1,2,5-thiadiazole
CID 126438753
2-(2-chlorophenyl)-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]acetamide
CID 43992928
1-[1-(4-bromophenyl)ethyl]pyrrolidine
CID 12738008
5-[4-[4-(1-pyrrolidin-1-ylethyl)phenyl]phenyl]-2H-tetrazole
CID 122558610
1-[1-[4-(1-methyltetrazol-5-yl)phenyl]ethyl]piperidine
CID 72914284
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122563480
1-[1-(4-bromophenyl)ethyl]pyrrolidine;hydrochloride
CID 119032014

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine (CID 74237145) is 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine is CC(c1ccc(-c2ccc(N3CCN(C)CC3)nn2)cc1)N1CCCC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine?
The InChIKey is QEXRNTIVSVVZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-17(25-11-3-4-12-25)18-5-7-19(8-6-18)20-9-10-21(23-22-20)26-15-13-24(2)14-16-26/h5-10,17H,3-4,11-16H2,1-2H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine?
3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine has a molecular weight of 351.50 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine is sourced from PubChem (CID 74237145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).