[3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine

C16H21N5 — CID 80505607

IUPAC[3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21N5/c17-12-15-6-7-18-19-16(15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7H,8-13,17H2
InChIKeyCBCUDKMGCQSWLI-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.26
Rot. Bonds4

About [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine

[3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine (PubChem CID 80505607) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine
PubChem CID80505607
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name[3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21N5/c17-12-15-6-7-18-19-16(15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7H,8-13,17H2
InChIKeyCBCUDKMGCQSWLI-UHFFFAOYSA-N
XLogP1.26
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-(4-benzylpiperazin-1-yl)-4,6-dichloro-1,3,5-triazine
CID 60726999
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62299103
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
4-(4-benzylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137255
1-benzyl-4-[4-(chloromethyl)-3-pyridinyl]piperazine
CID 105067248
[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine
CID 80508808
7-(4-benzylpiperazin-1-yl)-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 10521333
[2-(4-benzylpiperazin-1-yl)phenyl]methanol
CID 2741998
[3-(4-benzylpiperazin-1-yl)-4-pyridinyl]methanol
CID 105066656

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine (CID 80505607) is [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine is NCc1ccnnc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine?
The InChIKey is CBCUDKMGCQSWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c17-12-15-6-7-18-19-16(15)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7H,8-13,17H2.
What are the key properties of [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine?
[3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine has a molecular weight of 283.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzylpiperazin-1-yl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80505607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).