[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol

C13H12N4O — CID 58529804

IUPAC[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol
SMILESNc1ncnn2c(-c3cccc(CO)c3)ccc12
InChIInChI=1S/C13H12N4O/c14-13-12-5-4-11(17(12)16-8-15-13)10-3-1-2-9(6-10)7-18/h1-6,8,18H,7H2,(H2,14,15,16)
InChIKeyLDLOOXSYHWDSBV-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.47
Rot. Bonds2

About [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol

[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol (PubChem CID 58529804) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol
PubChem CID58529804
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol
SMILESNc1ncnn2c(-c3cccc(CO)c3)ccc12
InChIInChI=1S/C13H12N4O/c14-13-12-5-4-11(17(12)16-8-15-13)10-3-1-2-9(6-10)7-18/h1-6,8,18H,7H2,(H2,14,15,16)
InChIKeyLDLOOXSYHWDSBV-UHFFFAOYSA-N
XLogP1.47
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol?
The IUPAC name of [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol (CID 58529804) is [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol.
What is the SMILES notation for [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol?
The canonical SMILES for [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol is Nc1ncnn2c(-c3cccc(CO)c3)ccc12.
What is the InChIKey of [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol?
The InChIKey is LDLOOXSYHWDSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c14-13-12-5-4-11(17(12)16-8-15-13)10-3-1-2-9(6-10)7-18/h1-6,8,18H,7H2,(H2,14,15,16).
What are the key properties of [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol?
[3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol has a molecular weight of 240.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)phenyl]methanol is sourced from PubChem (CID 58529804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).