N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H11BrN6 — CID 155813048

IUPACN-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESBrc1ccccc1Nc1ccc2nnc(-c3ccncc3)n2n1
InChIInChI=1S/C16H11BrN6/c17-12-3-1-2-4-13(12)19-14-5-6-15-20-21-16(23(15)22-14)11-7-9-18-10-8-11/h1-10H,(H,19,22)
InChIKeyOVRKAPMYPPVHAI-UHFFFAOYSA-N
MW367.21 g/mol
LogP3.69
Rot. Bonds3

About N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 155813048) has the molecular formula C16H11BrN6 and a molecular weight of 367.21 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID155813048
Molecular FormulaC16H11BrN6
Molecular Weight367.21 g/mol
Exact Mass366.02
IUPAC NameN-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESBrc1ccccc1Nc1ccc2nnc(-c3ccncc3)n2n1
InChIInChI=1S/C16H11BrN6/c17-12-3-1-2-4-13(12)19-14-5-6-15-20-21-16(23(15)22-14)11-7-9-18-10-8-11/h1-10H,(H,19,22)
InChIKeyOVRKAPMYPPVHAI-UHFFFAOYSA-N
XLogP3.69
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 155813048) is N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Brc1ccccc1Nc1ccc2nnc(-c3ccncc3)n2n1.
What is the InChIKey of N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OVRKAPMYPPVHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN6/c17-12-3-1-2-4-13(12)19-14-5-6-15-20-21-16(23(15)22-14)11-7-9-18-10-8-11/h1-10H,(H,19,22).
What are the key properties of N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 367.21 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 155813048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).