3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C15H16N6 — CID 134811174

IUPAC3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(-c2nnc3ccc(N4CCCC4)nn23)nc1
InChIInChI=1S/C15H16N6/c1-11-4-5-12(16-10-11)15-18-17-13-6-7-14(19-21(13)15)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3
InChIKeyBJCHDUGAHQMCIY-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.09
Rot. Bonds2

About 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134811174) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134811174
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc(-c2nnc3ccc(N4CCCC4)nn23)nc1
InChIInChI=1S/C15H16N6/c1-11-4-5-12(16-10-11)15-18-17-13-6-7-14(19-21(13)15)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3
InChIKeyBJCHDUGAHQMCIY-UHFFFAOYSA-N
XLogP2.09
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
3-(2,6-dichlorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 674115
2-[3-(5-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,4-dihydro-1H-isoquinoline
CID 134808706
3-(2-fluorophenyl)-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 47072263
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
N-cycloheptyl-1-[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 46326780
2-methyl-5-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126912392
butane;5-methyl-2-piperidin-1-ylpyridine
CID 170641231
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401
6-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 20880723
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-amine
CID 146669273
3-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 5308432

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 134811174) is 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc(-c2nnc3ccc(N4CCCC4)nn23)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BJCHDUGAHQMCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-11-4-5-12(16-10-11)15-18-17-13-6-7-14(19-21(13)15)20-8-2-3-9-20/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 280.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134811174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).