N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H21ClN8 — CID 47072366

IUPACN-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCCN1CCN(c2ccc(Nc3ccc4nnnn4n3)cc2Cl)CC1
InChIInChI=1S/C17H21ClN8/c1-2-7-24-8-10-25(11-9-24)15-4-3-13(12-14(15)18)19-16-5-6-17-20-22-23-26(17)21-16/h3-6,12H,2,7-11H2,1H3,(H,19,21)
InChIKeyGIVBHTVAPLFKRS-UHFFFAOYSA-N
MW372.86 g/mol
LogP2.45
Rot. Bonds5

About N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 47072366) has the molecular formula C17H21ClN8 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID47072366
Molecular FormulaC17H21ClN8
Molecular Weight372.86 g/mol
Exact Mass372.16
IUPAC NameN-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCCCN1CCN(c2ccc(Nc3ccc4nnnn4n3)cc2Cl)CC1
InChIInChI=1S/C17H21ClN8/c1-2-7-24-8-10-25(11-9-24)15-4-3-13(12-14(15)18)19-16-5-6-17-20-22-23-26(17)21-16/h3-6,12H,2,7-11H2,1H3,(H,19,21)
InChIKeyGIVBHTVAPLFKRS-UHFFFAOYSA-N
XLogP2.45
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.45
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-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 47072366) is N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine is CCCN1CCN(c2ccc(Nc3ccc4nnnn4n3)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GIVBHTVAPLFKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN8/c1-2-7-24-8-10-25(11-9-24)15-4-3-13(12-14(15)18)19-16-5-6-17-20-22-23-26(17)21-16/h3-6,12H,2,7-11H2,1H3,(H,19,21).
What are the key properties of N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 372.86 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 47072366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).