5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine

C21H22ClN5 — CID 138484102

IUPAC5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine
SMILESNc1nncc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Cl
InChIInChI=1S/C21H22ClN5/c22-19-18(15-24-25-21(19)23)26-11-13-27(14-12-26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H2,23,25)
InChIKeyQAKJROJZJRIJKS-UHFFFAOYSA-N
MW379.90 g/mol
LogP3.62
Rot. Bonds4

About 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine

5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine (PubChem CID 138484102) has the molecular formula C21H22ClN5 and a molecular weight of 379.90 g/mol. Its IUPAC name is 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine.

Molecular Properties

Compound Name5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine
PubChem CID138484102
Molecular FormulaC21H22ClN5
Molecular Weight379.90 g/mol
Exact Mass379.16
IUPAC Name5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine
SMILESNc1nncc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Cl
InChIInChI=1S/C21H22ClN5/c22-19-18(15-24-25-21(19)23)26-11-13-27(14-12-26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H2,23,25)
InChIKeyQAKJROJZJRIJKS-UHFFFAOYSA-N
XLogP3.62
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzhydrylpiperazin-1-yl)benzene-1,3-diamine
CID 54794978
5-(4-benzhydrylpiperazin-1-yl)-4-chloro-2-[(4-chlorophenyl)methyl]pyridazin-3-one
CID 19245535
3-(4-benzhydrylpiperazin-1-yl)-4H-1,2,4-triazin-5-one
CID 135763966
5-amino-2-[4-[phenyl(pyridin-3-yl)methyl]piperazin-1-yl]benzonitrile
CID 68871969
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
4-(4-benzhydrylpiperazin-1-yl)-3-nitrobenzamide
CID 5212328
1-benzhydryl-4-methylpiperazine
CID 6726
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
[5-amino-2-(4-benzhydrylpiperazin-1-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 100652215
2-(4-chlorophenyl)-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-phenylmethyl]-1,3,4-oxadiazole
CID 92724535

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine?
The IUPAC name of 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine (CID 138484102) is 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine.
What is the SMILES notation for 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine?
The canonical SMILES for 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine is Nc1nncc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Cl.
What is the InChIKey of 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine?
The InChIKey is QAKJROJZJRIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5/c22-19-18(15-24-25-21(19)23)26-11-13-27(14-12-26)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,20H,11-14H2,(H2,23,25).
What are the key properties of 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine?
5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine has a molecular weight of 379.90 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzhydrylpiperazin-1-yl)-4-chloropyridazin-3-amine is sourced from PubChem (CID 138484102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).