4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol

C10H10N4O — CID 172822187

IUPAC4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol
SMILESNc1nc(CCC#CO)nn2cccc12
InChIInChI=1S/C10H10N4O/c11-10-8-4-3-6-14(8)13-9(12-10)5-1-2-7-15/h3-4,6,15H,1,5H2,(H2,11,12,13)
InChIKeyUJKDIJCDVIENAZ-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.58
Rot. Bonds2

About 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol

4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol (PubChem CID 172822187) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol.

Molecular Properties

Compound Name4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol
PubChem CID172822187
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol
SMILESNc1nc(CCC#CO)nn2cccc12
InChIInChI=1S/C10H10N4O/c11-10-8-4-3-6-14(8)13-9(12-10)5-1-2-7-15/h3-4,6,15H,1,5H2,(H2,11,12,13)
InChIKeyUJKDIJCDVIENAZ-UHFFFAOYSA-N
XLogP0.58
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol?
The IUPAC name of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol (CID 172822187) is 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol.
What is the SMILES notation for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol?
The canonical SMILES for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol is Nc1nc(CCC#CO)nn2cccc12.
What is the InChIKey of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol?
The InChIKey is UJKDIJCDVIENAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-10-8-4-3-6-14(8)13-9(12-10)5-1-2-7-15/h3-4,6,15H,1,5H2,(H2,11,12,13).
What are the key properties of 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol?
4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol has a molecular weight of 202.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-2-yl)but-1-yn-1-ol is sourced from PubChem (CID 172822187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).