3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol

C12H10N4O — CID 91592466

IUPAC3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol
SMILESOc1cccc(Nc2ncnn3cccc23)c1
InChIInChI=1S/C12H10N4O/c17-10-4-1-3-9(7-10)15-12-11-5-2-6-16(11)14-8-13-12/h1-8,17H,(H,13,14,15)
InChIKeyAVDKMYYNSMFYQD-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.18
Rot. Bonds2

About 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol

3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol (PubChem CID 91592466) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol.

Molecular Properties

Compound Name3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol
PubChem CID91592466
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol
SMILESOc1cccc(Nc2ncnn3cccc23)c1
InChIInChI=1S/C12H10N4O/c17-10-4-1-3-9(7-10)15-12-11-5-2-6-16(11)14-8-13-12/h1-8,17H,(H,13,14,15)
InChIKeyAVDKMYYNSMFYQD-UHFFFAOYSA-N
XLogP2.18
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-((5-((4-aminopiperidin-1-yl)methyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl)amino)-5-(2-isopropyl-2H-tetrazol-5-yl)phenol
CID 118009188
3-({5-[(4-Amino-4-Methylpiperidin-1-Yl)methyl]pyrrolo[2,1-F][1,2,4]triazin-4-Yl}amino)-5-Bromophenol
CID 135566890
6-(1H-imidazol-1-yl)-N-(3-methoxyphenyl)-3-pyridazinamine
CID 2982509
2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-Methyl-5-(6-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 10131256
5-(5,6-Dimethyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-2-methyl-phenol
CID 10199254
3-(1-(2-methylpyrimidin-4-yl)-1H-benzo[d]imidazol-2-ylamino)phenol
CID 46893484
4-[5-(Propylamino)-3H-1,2,3-triazolo[4,5-b]pyridin-3-yl]phenol
CID 57403843
3-[6-(Propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 57418692
4-[6-[(4-Fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135961524
2,6-Difluoro-4-[[9-(3-hydroxyphenyl)purin-2-yl]amino]phenol
CID 164615266

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol?
The IUPAC name of 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol (CID 91592466) is 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol.
What is the SMILES notation for 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol?
The canonical SMILES for 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol is Oc1cccc(Nc2ncnn3cccc23)c1.
What is the InChIKey of 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol?
The InChIKey is AVDKMYYNSMFYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-10-4-1-3-9(7-10)15-12-11-5-2-6-16(11)14-8-13-12/h1-8,17H,(H,13,14,15).
What are the key properties of 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol?
3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol has a molecular weight of 226.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)phenol is sourced from PubChem (CID 91592466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).