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

C15H20N8 — CID 75201417

IUPAC3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C15H20N8/c1-11-17-18-14-8-6-12(19-23(11)14)5-7-13-16-15(20-21(13)2)22-9-3-4-10-22/h6,8H,3-5,7,9-10H2,1-2H3
InChIKeyNDLKDIRIVBAJJG-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.95
Rot. Bonds4

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

3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 75201417) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID75201417
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C15H20N8/c1-11-17-18-14-8-6-12(19-23(11)14)5-7-13-16-15(20-21(13)2)22-9-3-4-10-22/h6,8H,3-5,7,9-10H2,1-2H3
InChIKeyNDLKDIRIVBAJJG-UHFFFAOYSA-N
XLogP0.95
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

6-chloro-5,8-dimethyl-2-[(E)-2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72194628
6-Chloro-5,8-dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704894
6,8-Dichloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72705281
3,8-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine
CID 75201366
5,8-Dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90024886
6-Chloranyl-5,8-Dimethyl-2-[2-(2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)ethyl]-[1,2,4]triazolo[1,5-A]pyridine
CID 90033975
5-Methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
CID 72702893
5,6-Dimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72702894
6-Ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72702895
7,8-Dimethyl-2-[2-(1-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 72704706
2-[2-(2-Methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705476
5-Methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
CID 72705653

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 75201417) is 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NDLKDIRIVBAJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-11-17-18-14-8-6-12(19-23(11)14)5-7-13-16-15(20-21(13)2)22-9-3-4-10-22/h6,8H,3-5,7,9-10H2,1-2H3.
What are the key properties of 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 312.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 75201417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).