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

C10H9BrN6S — CID 51304335

IUPACN-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(Cc1ccc(Br)s1)c1ccc2nnnn2n1
InChIInChI=1S/C10H9BrN6S/c1-16(6-7-2-3-8(11)18-7)10-5-4-9-12-14-15-17(9)13-10/h2-5H,6H2,1H3
InChIKeyKKEJXXSRFBLEJL-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.98
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 51304335) has the molecular formula C10H9BrN6S and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
PubChem CID51304335
Molecular FormulaC10H9BrN6S
Molecular Weight325.20 g/mol
Exact Mass323.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(Cc1ccc(Br)s1)c1ccc2nnnn2n1
InChIInChI=1S/C10H9BrN6S/c1-16(6-7-2-3-8(11)18-7)10-5-4-9-12-14-15-17(9)13-10/h2-5H,6H2,1H3
InChIKeyKKEJXXSRFBLEJL-UHFFFAOYSA-N
XLogP1.98
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine (CID 51304335) is N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is CN(Cc1ccc(Br)s1)c1ccc2nnnn2n1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is KKEJXXSRFBLEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN6S/c1-16(6-7-2-3-8(11)18-7)10-5-4-9-12-14-15-17(9)13-10/h2-5H,6H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine?
N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 325.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-N-methyltetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 51304335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).