2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine

C17H23N9 — CID 129332645

IUPAC2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine
SMILESCN(C)c1ccc(N[C@@H]2CCCN(c3ccc4nnnn4n3)CC2)cn1
InChIInChI=1S/C17H23N9/c1-24(2)15-6-5-14(12-18-15)19-13-4-3-10-25(11-9-13)17-8-7-16-20-22-23-26(16)21-17/h5-8,12-13,19H,3-4,9-11H2,1-2H3/t13-/m1/s1
InChIKeyDPDRAUUNYPWSLD-CYBMUJFWSA-N
MW353.43 g/mol
LogP1.45
Rot. Bonds4

About 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine

2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine (PubChem CID 129332645) has the molecular formula C17H23N9 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine
PubChem CID129332645
Molecular FormulaC17H23N9
Molecular Weight353.43 g/mol
Exact Mass353.21
IUPAC Name2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine
SMILESCN(C)c1ccc(N[C@@H]2CCCN(c3ccc4nnnn4n3)CC2)cn1
InChIInChI=1S/C17H23N9/c1-24(2)15-6-5-14(12-18-15)19-13-4-3-10-25(11-9-13)17-8-7-16-20-22-23-26(16)21-17/h5-8,12-13,19H,3-4,9-11H2,1-2H3/t13-/m1/s1
InChIKeyDPDRAUUNYPWSLD-CYBMUJFWSA-N
XLogP1.45
TPSA87.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine 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 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine (CID 129332645) is 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine is CN(C)c1ccc(N[C@@H]2CCCN(c3ccc4nnnn4n3)CC2)cn1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine?
The InChIKey is DPDRAUUNYPWSLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N9/c1-24(2)15-6-5-14(12-18-15)19-13-4-3-10-25(11-9-13)17-8-7-16-20-22-23-26(16)21-17/h5-8,12-13,19H,3-4,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine?
2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine has a molecular weight of 353.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[(4R)-1-(tetrazolo[1,5-b]pyridazin-6-yl)azepan-4-yl]pyridine-2,5-diamine is sourced from PubChem (CID 129332645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).