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

C16H19N7 — CID 71874399

IUPACN-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc(Nc2ccc3nnnn3n2)cc(N2CCCCCC2)c1
InChIInChI=1S/C16H19N7/c1-2-4-11-22(10-3-1)14-7-5-6-13(12-14)17-15-8-9-16-18-20-21-23(16)19-15/h5-9,12H,1-4,10-11H2,(H,17,19)
InChIKeyNZCXXIZQJXARRP-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.64
Rot. Bonds3

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

N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 71874399) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID71874399
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1cc(Nc2ccc3nnnn3n2)cc(N2CCCCCC2)c1
InChIInChI=1S/C16H19N7/c1-2-4-11-22(10-3-1)14-7-5-6-13(12-14)17-15-8-9-16-18-20-21-23(16)19-15/h5-9,12H,1-4,10-11H2,(H,17,19)
InChIKeyNZCXXIZQJXARRP-UHFFFAOYSA-N
XLogP2.64
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 71874399) is N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine is c1cc(Nc2ccc3nnnn3n2)cc(N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is NZCXXIZQJXARRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-4-11-22(10-3-1)14-7-5-6-13(12-14)17-15-8-9-16-18-20-21-23(16)19-15/h5-9,12H,1-4,10-11H2,(H,17,19).
What are the key properties of N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 309.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 71874399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).