N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine

C15H17N9 — CID 125432939

IUPACN-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccn2c(CCCCCNc3ccc4nnnn4n3)nnc2c1
InChIInChI=1S/C15H17N9/c1(2-6-13-17-18-14-7-3-5-11-23(13)14)4-10-16-12-8-9-15-19-21-22-24(15)20-12/h3,5,7-9,11H,1-2,4,6,10H2,(H,16,20)
InChIKeyYVJDJKBJGKWSMM-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.39
Rot. Bonds7

About N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 125432939) has the molecular formula C15H17N9 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID125432939
Molecular FormulaC15H17N9
Molecular Weight323.36 g/mol
Exact Mass323.16
IUPAC NameN-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccn2c(CCCCCNc3ccc4nnnn4n3)nnc2c1
InChIInChI=1S/C15H17N9/c1(2-6-13-17-18-14-7-3-5-11-23(13)14)4-10-16-12-8-9-15-19-21-22-24(15)20-12/h3,5,7-9,11H,1-2,4,6,10H2,(H,16,20)
InChIKeyYVJDJKBJGKWSMM-UHFFFAOYSA-N
XLogP1.39
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine with MolForge

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Related Compounds

N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-octyltetrazolo[1,5-b]pyridazin-6-amine
CID 113337448
N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 17470486
2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide
CID 91823650
N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115620446
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
CID 56723920
6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine
CID 71982303
N-(2-thiophen-2-ylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136338
2-methyl-1-nonyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111767825
2-methyl-1-nonyl-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111767824
2-hexyl-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine
CID 111033877
1-tert-butyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111803058

Frequently Asked Questions

What is the IUPAC name of N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 125432939) is N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine is c1ccn2c(CCCCCNc3ccc4nnnn4n3)nnc2c1.
What is the InChIKey of N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is YVJDJKBJGKWSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9/c1(2-6-13-17-18-14-7-3-5-11-23(13)14)4-10-16-12-8-9-15-19-21-22-24(15)20-12/h3,5,7-9,11H,1-2,4,6,10H2,(H,16,20).
What are the key properties of N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 323.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 125432939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).