6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C15H17N7 — CID 72855716

IUPAC6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1-n1nc(CC2CC2)nc1C1CCC1
InChIInChI=1S/C15H17N7/c1-2-11(3-1)15-17-12(8-10-4-5-10)19-22(15)14-7-6-13-18-16-9-21(13)20-14/h6-7,9-11H,1-5,8H2
InChIKeyNPOGWALLLIKDEE-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.92
Rot. Bonds4

About 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 72855716) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID72855716
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1-n1nc(CC2CC2)nc1C1CCC1
InChIInChI=1S/C15H17N7/c1-2-11(3-1)15-17-12(8-10-4-5-10)19-22(15)14-7-6-13-18-16-9-21(13)20-14/h6-7,9-11H,1-5,8H2
InChIKeyNPOGWALLLIKDEE-UHFFFAOYSA-N
XLogP1.92
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-(3-Methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 2807627
6-Pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 647722
1-[3-(Trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2,4-triazole-3-carbonitrile
CID 25659433
3-(Propan-2-yl)-6-(pyrrolidin-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 39310812
1-{3-Cyclopropyl-[1,2,4]triazolo[4,3-B]pyridazin-6-YL}pyrrolidine
CID 53015050
1-{3-Cyclobutyl-[1,2,4]triazolo[4,3-B]pyridazin-6-YL}pyrrolidine
CID 53015051
6-(3,5-Dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 6619949
1-{[1,2,4]Triazolo[4,3-B]pyridazin-6-YL}azepane
CID 23799025
6-Piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 6620049
6-Azido-1,2,4-triazolo[4,3-b]pyridazine
CID 168308541
6-[3-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43063323
6-(3-(Fluoromethyl)azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 119103557

Frequently Asked Questions

What is the IUPAC name of 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 72855716) is 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nncn2nc1-n1nc(CC2CC2)nc1C1CCC1.
What is the InChIKey of 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NPOGWALLLIKDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-2-11(3-1)15-17-12(8-10-4-5-10)19-22(15)14-7-6-13-18-16-9-21(13)20-14/h6-7,9-11H,1-5,8H2.
What are the key properties of 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 295.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-cyclobutyl-3-(cyclopropylmethyl)-1,2,4-triazol-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 72855716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).