6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine

C19H22N8 — CID 171535633

IUPAC6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2nc(C3=CCC4(CCNCC4)CC3)c(-c3ncccn3)c12
InChIInChI=1S/C19H22N8/c20-17-16-14(18-22-8-1-9-23-18)15(26-27(16)25-12-24-17)13-2-4-19(5-3-13)6-10-21-11-7-19/h1-2,8-9,12,21H,3-7,10-11H2,(H2,20,24,25)
InChIKeyFKDIRIWKEJEELZ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.10
Rot. Bonds2

About 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine

6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine (PubChem CID 171535633) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine
PubChem CID171535633
Molecular FormulaC19H22N8
Molecular Weight362.44 g/mol
Exact Mass362.20
IUPAC Name6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2nc(C3=CCC4(CCNCC4)CC3)c(-c3ncccn3)c12
InChIInChI=1S/C19H22N8/c20-17-16-14(18-22-8-1-9-23-18)15(26-27(16)25-12-24-17)13-2-4-19(5-3-13)6-10-21-11-7-19/h1-2,8-9,12,21H,3-7,10-11H2,(H2,20,24,25)
InChIKeyFKDIRIWKEJEELZ-UHFFFAOYSA-N
XLogP2.10
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine 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 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine (CID 171535633) is 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine is Nc1ncnn2nc(C3=CCC4(CCNCC4)CC3)c(-c3ncccn3)c12.
What is the InChIKey of 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine?
The InChIKey is FKDIRIWKEJEELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c20-17-16-14(18-22-8-1-9-23-18)15(26-27(16)25-12-24-17)13-2-4-19(5-3-13)6-10-21-11-7-19/h1-2,8-9,12,21H,3-7,10-11H2,(H2,20,24,25).
What are the key properties of 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine?
6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine has a molecular weight of 362.44 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azaspiro[5.5]undec-9-en-9-yl)-5-pyrimidin-2-ylpyrazolo[5,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 171535633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).