N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C10H13BrN6 — CID 80679677

IUPACN-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(CC1CC(Br)C1)c1ccc2nnnn2n1
InChIInChI=1S/C10H13BrN6/c1-16(6-7-4-8(11)5-7)10-3-2-9-12-14-15-17(9)13-10/h2-3,7-8H,4-6H2,1H3
InChIKeyGJZWCZHUTUTYIT-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.13
Rot. Bonds3

About N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 80679677) has the molecular formula C10H13BrN6 and a molecular weight of 297.16 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID80679677
Molecular FormulaC10H13BrN6
Molecular Weight297.16 g/mol
Exact Mass296.04
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(CC1CC(Br)C1)c1ccc2nnnn2n1
InChIInChI=1S/C10H13BrN6/c1-16(6-7-4-8(11)5-7)10-3-2-9-12-14-15-17(9)13-10/h2-3,7-8H,4-6H2,1H3
InChIKeyGJZWCZHUTUTYIT-UHFFFAOYSA-N
XLogP1.13
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 106642634
N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine
CID 80679554
N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 51304335
N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 133292138
N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 104555243
N-cyclohexyl-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 18129399
N'-methyl-N-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)propane-1,3-diamine
CID 51107796
2-[2-hydroxyethyl(tetrazolo[1,5-b]pyridazin-6-yl)amino]ethanol
CID 79026548
N-(1-benzofuran-2-ylmethyl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 133355593
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
CID 17452018
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 106618801
N-(2-bromoethyl)-N-pentan-3-yltetrazolo[1,5-b]pyridazin-6-amine
CID 80680191

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 80679677) is N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is CN(CC1CC(Br)C1)c1ccc2nnnn2n1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is GJZWCZHUTUTYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6/c1-16(6-7-4-8(11)5-7)10-3-2-9-12-14-15-17(9)13-10/h2-3,7-8H,4-6H2,1H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 297.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 80679677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).