N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine

C12H11BrN6 — CID 112726128

IUPACN-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(Nc1ccc2nnnn2n1)c1cccc(Br)c1
InChIInChI=1S/C12H11BrN6/c1-8(9-3-2-4-10(13)7-9)14-11-5-6-12-15-17-18-19(12)16-11/h2-8H,1H3,(H,14,16)
InChIKeyDCSYHNULMMZGHO-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.45
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 112726128) has the molecular formula C12H11BrN6 and a molecular weight of 319.17 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID112726128
Molecular FormulaC12H11BrN6
Molecular Weight319.17 g/mol
Exact Mass318.02
IUPAC NameN-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(Nc1ccc2nnnn2n1)c1cccc(Br)c1
InChIInChI=1S/C12H11BrN6/c1-8(9-3-2-4-10(13)7-9)14-11-5-6-12-15-17-18-19(12)16-11/h2-8H,1H3,(H,14,16)
InChIKeyDCSYHNULMMZGHO-UHFFFAOYSA-N
XLogP2.45
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 17487293
N-[1-(3-bromophenyl)ethyl]-1-phenyltetrazol-5-amine
CID 60746209
N-[1-(5-methylthiophen-2-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 47371000
6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207097
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
N-[1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 71860579
6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
CID 79099168
N-(1-cyclopropylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136349
N-(2-methylpentan-3-yl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47393251
2-N-[1-(3-bromophenyl)ethyl]pyrazine-2,6-diamine
CID 78988750
4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80808089
N-[1-(3-bromophenyl)ethyl]-3-propan-2-ylaniline
CID 43100615

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 112726128) is N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is CC(Nc1ccc2nnnn2n1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is DCSYHNULMMZGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6/c1-8(9-3-2-4-10(13)7-9)14-11-5-6-12-15-17-18-19(12)16-11/h2-8H,1H3,(H,14,16).
What are the key properties of N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 319.17 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 112726128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).