2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C14H19N5 — CID 103293892

IUPAC2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESc1cnn2c(C3CCC4CCCCC4N3)nnc2c1
InChIInChI=1S/C14H19N5/c1-2-5-11-10(4-1)7-8-12(16-11)14-18-17-13-6-3-9-15-19(13)14/h3,6,9-12,16H,1-2,4-5,7-8H2
InChIKeyBKKBANSEMRFZAI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.11
Rot. Bonds1

About 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 103293892) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID103293892
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESc1cnn2c(C3CCC4CCCCC4N3)nnc2c1
InChIInChI=1S/C14H19N5/c1-2-5-11-10(4-1)7-8-12(16-11)14-18-17-13-6-3-9-15-19(13)14/h3,6,9-12,16H,1-2,4-5,7-8H2
InChIKeyBKKBANSEMRFZAI-UHFFFAOYSA-N
XLogP2.11
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclobutylphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 114606072
6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114352404
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
CID 103294067
7-[6-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)piperidin-2-yl]quinoline
CID 154555746
2-[2-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66469543
N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;ethane
CID 91609797
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 5242210
2-[3-(2-methylpropyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 59601190
2-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 81140045
3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 103293892) is 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is c1cnn2c(C3CCC4CCCCC4N3)nnc2c1.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is BKKBANSEMRFZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-5-11-10(4-1)7-8-12(16-11)14-18-17-13-6-3-9-15-19(13)14/h3,6,9-12,16H,1-2,4-5,7-8H2.
What are the key properties of 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 257.34 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 103293892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).