N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine

C16H20N8 — CID 17488067

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCN1CCN(c2ccc(Nc3ccc4nnnn4n3)cc2)CC1
InChIInChI=1S/C16H20N8/c1-2-22-9-11-23(12-10-22)14-5-3-13(4-6-14)17-15-7-8-16-18-20-21-24(16)19-15/h3-8H,2,9-12H2,1H3,(H,17,19)
InChIKeyBLJPUUILNGSPJH-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.40
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 17488067) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID17488067
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCN1CCN(c2ccc(Nc3ccc4nnnn4n3)cc2)CC1
InChIInChI=1S/C16H20N8/c1-2-22-9-11-23(12-10-22)14-5-3-13(4-6-14)17-15-7-8-16-18-20-21-24(16)19-15/h3-8H,2,9-12H2,1H3,(H,17,19)
InChIKeyBLJPUUILNGSPJH-UHFFFAOYSA-N
XLogP1.40
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 17488067) is N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine is CCN1CCN(c2ccc(Nc3ccc4nnnn4n3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is BLJPUUILNGSPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8/c1-2-22-9-11-23(12-10-22)14-5-3-13(4-6-14)17-15-7-8-16-18-20-21-24(16)19-15/h3-8H,2,9-12H2,1H3,(H,17,19).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 17488067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).