N-octyltetrazolo[1,5-b]pyridazin-6-amine

C12H20N6 — CID 113337448

IUPACN-octyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCCCCCCCCNc1ccc2nnnn2n1
InChIInChI=1S/C12H20N6/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-16-17-18(12)15-11/h8-9H,2-7,10H2,1H3,(H,13,15)
InChIKeyRQXJKSGFJLTOEZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.29
Rot. Bonds8

About N-octyltetrazolo[1,5-b]pyridazin-6-amine

N-octyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 113337448) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-octyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-octyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID113337448
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC NameN-octyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCCCCCCCCNc1ccc2nnnn2n1
InChIInChI=1S/C12H20N6/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-16-17-18(12)15-11/h8-9H,2-7,10H2,1H3,(H,13,15)
InChIKeyRQXJKSGFJLTOEZ-UHFFFAOYSA-N
XLogP2.29
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hexyltetrazolo[1,5-b]pyridazin-6-amine
CID 52547064
N-(3-methylsulfinylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 115620446
N-[3-(2-methylpropylsulfanyl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 75432970
N-(2,2-dimethylbutyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 103462537
N'-methyl-N'-phenyl-N-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 17470486
N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 125432939
N-[3-(4-methylpiperidin-1-yl)propyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 24590303
2,2-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 115366197
N-propan-2-yl-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propanamide
CID 112684377
tert-butyl N-[2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethyl]carbamate
CID 47453715
N-[(1-ethylcyclopentyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 113257468
N-(2-methoxypropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 102699023

Frequently Asked Questions

What is the IUPAC name of N-octyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-octyltetrazolo[1,5-b]pyridazin-6-amine (CID 113337448) is N-octyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-octyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-octyltetrazolo[1,5-b]pyridazin-6-amine is CCCCCCCCNc1ccc2nnnn2n1.
What is the InChIKey of N-octyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is RQXJKSGFJLTOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-2-3-4-5-6-7-10-13-11-8-9-12-14-16-17-18(12)15-11/h8-9H,2-7,10H2,1H3,(H,13,15).
What are the key properties of N-octyltetrazolo[1,5-b]pyridazin-6-amine?
N-octyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 248.33 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 113337448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).