3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid

C12H15N5O2 — CID 6625203

IUPAC3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid
SMILESO=C(O)CCc1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C12H15N5O2/c18-12(19)6-5-10-14-13-9-3-4-11(15-17(9)10)16-7-1-2-8-16/h3-4H,1-2,5-8H2,(H,18,19)
InChIKeyKFTAQIDMLOIRLC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.74
Rot. Bonds4

About 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid

3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid (PubChem CID 6625203) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid
PubChem CID6625203
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid
SMILESO=C(O)CCc1nnc2ccc(N3CCCC3)nn12
InChIInChI=1S/C12H15N5O2/c18-12(19)6-5-10-14-13-9-3-4-11(15-17(9)10)16-7-1-2-8-16/h3-4H,1-2,5-8H2,(H,18,19)
InChIKeyKFTAQIDMLOIRLC-UHFFFAOYSA-N
XLogP0.74
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid?
The IUPAC name of 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid (CID 6625203) is 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid is O=C(O)CCc1nnc2ccc(N3CCCC3)nn12.
What is the InChIKey of 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid?
The InChIKey is KFTAQIDMLOIRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-12(19)6-5-10-14-13-9-3-4-11(15-17(9)10)16-7-1-2-8-16/h3-4H,1-2,5-8H2,(H,18,19).
What are the key properties of 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid?
3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid is sourced from PubChem (CID 6625203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).