6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine

C19H25N9 — CID 133279638

IUPAC6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1ccc(N2CCN(CC3CCCN(c4ccc5nnnn5n4)C3)CC2)nc1
InChIInChI=1S/C19H25N9/c1-2-8-20-17(5-1)26-12-10-25(11-13-26)14-16-4-3-9-27(15-16)19-7-6-18-21-23-24-28(18)22-19/h1-2,5-8,16H,3-4,9-15H2
InChIKeyCWIFIMDIRVMEDB-UHFFFAOYSA-N
MW379.47 g/mol
LogP0.95
Rot. Bonds4

About 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 133279638) has the molecular formula C19H25N9 and a molecular weight of 379.47 g/mol. Its IUPAC name is 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID133279638
Molecular FormulaC19H25N9
Molecular Weight379.47 g/mol
Exact Mass379.22
IUPAC Name6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1ccc(N2CCN(CC3CCCN(c4ccc5nnnn5n4)C3)CC2)nc1
InChIInChI=1S/C19H25N9/c1-2-8-20-17(5-1)26-12-10-25(11-13-26)14-16-4-3-9-27(15-16)19-7-6-18-21-23-24-28(18)22-19/h1-2,5-8,16H,3-4,9-15H2
InChIKeyCWIFIMDIRVMEDB-UHFFFAOYSA-N
XLogP0.95
TPSA78.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine with MolForge

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Related Compounds

6-[3-(azepan-1-ylmethyl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 71933519
1-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]-4-pyridin-2-ylpiperazine
CID 133279610
2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133300278
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
2-chloro-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133279639
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134518
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901
3-amino-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 119902888
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
6-(4-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 685555

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 133279638) is 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine is c1ccc(N2CCN(CC3CCCN(c4ccc5nnnn5n4)C3)CC2)nc1.
What is the InChIKey of 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is CWIFIMDIRVMEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N9/c1-2-8-20-17(5-1)26-12-10-25(11-13-26)14-16-4-3-9-27(15-16)19-7-6-18-21-23-24-28(18)22-19/h1-2,5-8,16H,3-4,9-15H2.
What are the key properties of 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 379.47 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 133279638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).