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

C10H9BrN6S — CID 17454098

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESBrc1ccc(CCNc2ccc3nnnn3n2)s1
InChIInChI=1S/C10H9BrN6S/c11-8-2-1-7(18-8)5-6-12-9-3-4-10-13-15-16-17(10)14-9/h1-4H,5-6H2,(H,12,14)
InChIKeyKXUZDZZFHYFGJN-UHFFFAOYSA-N
MW325.20 g/mol
LogP2.00
Rot. Bonds4

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

N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 17454098) has the molecular formula C10H9BrN6S and a molecular weight of 325.20 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID17454098
Molecular FormulaC10H9BrN6S
Molecular Weight325.20 g/mol
Exact Mass323.98
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESBrc1ccc(CCNc2ccc3nnnn3n2)s1
InChIInChI=1S/C10H9BrN6S/c11-8-2-1-7(18-8)5-6-12-9-3-4-10-13-15-16-17(10)14-9/h1-4H,5-6H2,(H,12,14)
InChIKeyKXUZDZZFHYFGJN-UHFFFAOYSA-N
XLogP2.00
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 26035572
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51301152
N-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 81836617
N-[2-(5-bromothiophen-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 103847065
N-[2-(5-bromothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106048954
N-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 128990869
N-(2-phenylsulfanylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 17416065
3-methyl-N-[2-(thiophen-2-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39342114
3-ethyl-N-[2-(thiophen-2-yl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39343340
7-Bromo-2-(5-methylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 70105348
N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 16582443
5-[(Tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide
CID 16582452

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 17454098) is N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is Brc1ccc(CCNc2ccc3nnnn3n2)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is KXUZDZZFHYFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN6S/c11-8-2-1-7(18-8)5-6-12-9-3-4-10-13-15-16-17(10)14-9/h1-4H,5-6H2,(H,12,14).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 325.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 17454098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).