N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C13H13BrN6 — CID 133292138

IUPACN-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(CCc1ccc(Br)cc1)c1ccc2nnnn2n1
InChIInChI=1S/C13H13BrN6/c1-19(9-8-10-2-4-11(14)5-3-10)13-7-6-12-15-17-18-20(12)16-13/h2-7H,8-9H2,1H3
InChIKeyYETHBYGBMCVPFX-UHFFFAOYSA-N
MW333.19 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133292138) has the molecular formula C13H13BrN6 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133292138
Molecular FormulaC13H13BrN6
Molecular Weight333.19 g/mol
Exact Mass332.04
IUPAC NameN-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(CCc1ccc(Br)cc1)c1ccc2nnnn2n1
InChIInChI=1S/C13H13BrN6/c1-19(9-8-10-2-4-11(14)5-3-10)13-7-6-12-15-17-18-20(12)16-13/h2-7H,8-9H2,1H3
InChIKeyYETHBYGBMCVPFX-UHFFFAOYSA-N
XLogP1.96
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 133292138) is N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is CN(CCc1ccc(Br)cc1)c1ccc2nnnn2n1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is YETHBYGBMCVPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN6/c1-19(9-8-10-2-4-11(14)5-3-10)13-7-6-12-15-17-18-20(12)16-13/h2-7H,8-9H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 333.19 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133292138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).