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

C12H17N5 — CID 39310812

IUPAC3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C12H17N5/c1-9(2)12-14-13-10-5-6-11(15-17(10)12)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyPCORCJIROXVISD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.85
Rot. Bonds2

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

3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 39310812) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID39310812
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)c1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C12H17N5/c1-9(2)12-14-13-10-5-6-11(15-17(10)12)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyPCORCJIROXVISD-UHFFFAOYSA-N
XLogP1.85
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 39310812) is 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)c1nnc2ccc(N3CCCC3)nn12.
What is the InChIKey of 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PCORCJIROXVISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9(2)12-14-13-10-5-6-11(15-17(10)12)16-7-3-4-8-16/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 231.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 39310812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).