2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol

C11H12N6O — CID 155626896

IUPAC2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol
SMILESNc1ncnn2cc(-c3cnn(CCO)c3)cc12
InChIInChI=1S/C11H12N6O/c12-11-10-3-8(6-17(10)15-7-13-11)9-4-14-16(5-9)1-2-18/h3-7,18H,1-2H2,(H2,12,13,15)
InChIKeyJRKMFVLQIZPYSK-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.17
Rot. Bonds3

About 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol

2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol (PubChem CID 155626896) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol
PubChem CID155626896
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol
SMILESNc1ncnn2cc(-c3cnn(CCO)c3)cc12
InChIInChI=1S/C11H12N6O/c12-11-10-3-8(6-17(10)15-7-13-11)9-4-14-16(5-9)1-2-18/h3-7,18H,1-2H2,(H2,12,13,15)
InChIKeyJRKMFVLQIZPYSK-UHFFFAOYSA-N
XLogP0.17
TPSA94.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol 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 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol (CID 155626896) is 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol is Nc1ncnn2cc(-c3cnn(CCO)c3)cc12.
What is the InChIKey of 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol?
The InChIKey is JRKMFVLQIZPYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c12-11-10-3-8(6-17(10)15-7-13-11)9-4-14-16(5-9)1-2-18/h3-7,18H,1-2H2,(H2,12,13,15).
What are the key properties of 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol?
2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol has a molecular weight of 244.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-6-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 155626896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).