3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine

C17H29N5 — CID 97437928

IUPAC3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine
SMILESCc1ccc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)nn1
InChIInChI=1S/C17H29N5/c1-14-4-5-17(19-18-14)22-8-6-16(7-9-22)15(2)21-12-10-20(3)11-13-21/h4-5,15-16H,6-13H2,1-3H3/t15-/m0/s1
InChIKeyOBJORVRCNSNYDN-HNNXBMFYSA-N
MW303.45 g/mol
LogP1.64
Rot. Bonds3

About 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine

3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine (PubChem CID 97437928) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine
PubChem CID97437928
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine
SMILESCc1ccc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)nn1
InChIInChI=1S/C17H29N5/c1-14-4-5-17(19-18-14)22-8-6-16(7-9-22)15(2)21-12-10-20(3)11-13-21/h4-5,15-16H,6-13H2,1-3H3/t15-/m0/s1
InChIKeyOBJORVRCNSNYDN-HNNXBMFYSA-N
XLogP1.64
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine?
The IUPAC name of 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine (CID 97437928) is 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine is Cc1ccc(N2CCC([C@H](C)N3CCN(C)CC3)CC2)nn1.
What is the InChIKey of 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine?
The InChIKey is OBJORVRCNSNYDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H29N5/c1-14-4-5-17(19-18-14)22-8-6-16(7-9-22)15(2)21-12-10-20(3)11-13-21/h4-5,15-16H,6-13H2,1-3H3/t15-/m0/s1.
What are the key properties of 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine?
3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine has a molecular weight of 303.45 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyridazine is sourced from PubChem (CID 97437928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).