N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine

C8H11BrN6 — CID 104555243

IUPACN-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(CBr)N(C)c1ccc2nnnn2n1
InChIInChI=1S/C8H11BrN6/c1-6(5-9)14(2)8-4-3-7-10-12-13-15(7)11-8/h3-4,6H,5H2,1-2H3
InChIKeySYEMALIZENMJHR-UHFFFAOYSA-N
MW271.12 g/mol
LogP0.74
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine

N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 104555243) has the molecular formula C8H11BrN6 and a molecular weight of 271.12 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID104555243
Molecular FormulaC8H11BrN6
Molecular Weight271.12 g/mol
Exact Mass270.02
IUPAC NameN-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(CBr)N(C)c1ccc2nnnn2n1
InChIInChI=1S/C8H11BrN6/c1-6(5-9)14(2)8-4-3-7-10-12-13-15(7)11-8/h3-4,6H,5H2,1-2H3
InChIKeySYEMALIZENMJHR-UHFFFAOYSA-N
XLogP0.74
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 104555243) is N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine is CC(CBr)N(C)c1ccc2nnnn2n1.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is SYEMALIZENMJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN6/c1-6(5-9)14(2)8-4-3-7-10-12-13-15(7)11-8/h3-4,6H,5H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 271.12 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 104555243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).