N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine

C23H27N5 — CID 10861669

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(CN2CCN(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C23H27N5/c1-3-7-20(8-4-1)19-28-17-15-27(16-18-28)14-13-24-23-12-11-22(25-26-23)21-9-5-2-6-10-21/h1-12H,13-19H2,(H,24,26)
InChIKeySPNLGNNYKMFNSO-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.37
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine

N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine (PubChem CID 10861669) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine
PubChem CID10861669
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine
SMILESc1ccc(CN2CCN(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1
InChIInChI=1S/C23H27N5/c1-3-7-20(8-4-1)19-28-17-15-27(16-18-28)14-13-24-23-12-11-22(25-26-23)21-9-5-2-6-10-21/h1-12H,13-19H2,(H,24,26)
InChIKeySPNLGNNYKMFNSO-UHFFFAOYSA-N
XLogP3.37
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine (CID 10861669) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine is c1ccc(CN2CCN(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine?
The InChIKey is SPNLGNNYKMFNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-3-7-20(8-4-1)19-28-17-15-27(16-18-28)14-13-24-23-12-11-22(25-26-23)21-9-5-2-6-10-21/h1-12H,13-19H2,(H,24,26).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine has a molecular weight of 373.50 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-6-phenylpyridazin-3-amine is sourced from PubChem (CID 10861669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).