5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile

C12H12N8 — CID 51053466

IUPAC5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile
SMILESCC(C)c1nnc2ccc(-n3ncc(C#N)c3N)nn12
InChIInChI=1S/C12H12N8/c1-7(2)12-17-16-9-3-4-10(18-20(9)12)19-11(14)8(5-13)6-15-19/h3-4,6-7H,14H2,1-2H3
InChIKeyGSJHVNOJJNIHNS-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.89
Rot. Bonds2

About 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile

5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile (PubChem CID 51053466) has the molecular formula C12H12N8 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile
PubChem CID51053466
Molecular FormulaC12H12N8
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile
SMILESCC(C)c1nnc2ccc(-n3ncc(C#N)c3N)nn12
InChIInChI=1S/C12H12N8/c1-7(2)12-17-16-9-3-4-10(18-20(9)12)19-11(14)8(5-13)6-15-19/h3-4,6-7H,14H2,1-2H3
InChIKeyGSJHVNOJJNIHNS-UHFFFAOYSA-N
XLogP0.89
TPSA110.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile (CID 51053466) is 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile is CC(C)c1nnc2ccc(-n3ncc(C#N)c3N)nn12.
What is the InChIKey of 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile?
The InChIKey is GSJHVNOJJNIHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8/c1-7(2)12-17-16-9-3-4-10(18-20(9)12)19-11(14)8(5-13)6-15-19/h3-4,6-7H,14H2,1-2H3.
What are the key properties of 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile?
5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 51053466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).