1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol

C9H12N4O — CID 58529308

IUPAC1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol
SMILESCCC(O)c1ccc2c(N)ncnn12
InChIInChI=1S/C9H12N4O/c1-2-8(14)6-3-4-7-9(10)11-5-12-13(6)7/h3-5,8,14H,2H2,1H3,(H2,10,11,12)
InChIKeyMFOYCSUPAPQWLR-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.75
Rot. Bonds2

About 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol

1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol (PubChem CID 58529308) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol
PubChem CID58529308
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol
SMILESCCC(O)c1ccc2c(N)ncnn12
InChIInChI=1S/C9H12N4O/c1-2-8(14)6-3-4-7-9(10)11-5-12-13(6)7/h3-5,8,14H,2H2,1H3,(H2,10,11,12)
InChIKeyMFOYCSUPAPQWLR-UHFFFAOYSA-N
XLogP0.75
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol 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 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol?
The IUPAC name of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol (CID 58529308) is 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol.
What is the SMILES notation for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol?
The canonical SMILES for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol is CCC(O)c1ccc2c(N)ncnn12.
What is the InChIKey of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol?
The InChIKey is MFOYCSUPAPQWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-8(14)6-3-4-7-9(10)11-5-12-13(6)7/h3-5,8,14H,2H2,1H3,(H2,10,11,12).
What are the key properties of 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol?
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol has a molecular weight of 192.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)propan-1-ol is sourced from PubChem (CID 58529308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).