3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile

C11H12N6O — CID 66281440

IUPAC3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile
SMILESN#CCCN(c1ccc2n[nH]c(=O)n2n1)C1CC1
InChIInChI=1S/C11H12N6O/c12-6-1-7-16(8-2-3-8)10-5-4-9-13-14-11(18)17(9)15-10/h4-5,8H,1-3,7H2,(H,14,18)
InChIKeyCVLQVLBERSJFOD-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.30
Rot. Bonds4

About 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile

3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile (PubChem CID 66281440) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile
PubChem CID66281440
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile
SMILESN#CCCN(c1ccc2n[nH]c(=O)n2n1)C1CC1
InChIInChI=1S/C11H12N6O/c12-6-1-7-16(8-2-3-8)10-5-4-9-13-14-11(18)17(9)15-10/h4-5,8H,1-3,7H2,(H,14,18)
InChIKeyCVLQVLBERSJFOD-UHFFFAOYSA-N
XLogP0.30
TPSA90.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile (CID 66281440) is 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile is N#CCCN(c1ccc2n[nH]c(=O)n2n1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile?
The InChIKey is CVLQVLBERSJFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-6-1-7-16(8-2-3-8)10-5-4-9-13-14-11(18)17(9)15-10/h4-5,8H,1-3,7H2,(H,14,18).
What are the key properties of 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile?
3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile has a molecular weight of 244.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanenitrile is sourced from PubChem (CID 66281440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).