3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C13H17N5 — CID 53015051

IUPAC3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nnc(C3CCC3)n2nc1N1CCCC1
InChIInChI=1S/C13H17N5/c1-2-9-17(8-1)12-7-6-11-14-15-13(18(11)16-12)10-4-3-5-10/h6-7,10H,1-5,8-9H2
InChIKeyMMKBSHNPENYLRH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.99
Rot. Bonds2

About 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53015051) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53015051
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nnc(C3CCC3)n2nc1N1CCCC1
InChIInChI=1S/C13H17N5/c1-2-9-17(8-1)12-7-6-11-14-15-13(18(11)16-12)10-4-3-5-10/h6-7,10H,1-5,8-9H2
InChIKeyMMKBSHNPENYLRH-UHFFFAOYSA-N
XLogP1.99
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 53015051) is 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nnc(C3CCC3)n2nc1N1CCCC1.
What is the InChIKey of 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MMKBSHNPENYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-2-9-17(8-1)12-7-6-11-14-15-13(18(11)16-12)10-4-3-5-10/h6-7,10H,1-5,8-9H2.
What are the key properties of 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 243.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53015051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).