5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H13BrN4O — CID 130447864

IUPAC5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCOCC3)cc(Br)c12
InChIInChI=1S/C11H13BrN4O/c12-8-5-9(7-1-3-17-4-2-7)16-10(8)11(13)14-6-15-16/h5-7H,1-4H2,(H2,13,14,15)
InChIKeyUNTWQYCOTWGYCR-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.97
Rot. Bonds1

About 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 130447864) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID130447864
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CCOCC3)cc(Br)c12
InChIInChI=1S/C11H13BrN4O/c12-8-5-9(7-1-3-17-4-2-7)16-10(8)11(13)14-6-15-16/h5-7H,1-4H2,(H2,13,14,15)
InChIKeyUNTWQYCOTWGYCR-UHFFFAOYSA-N
XLogP1.97
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 156857316
5-bromo-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;propane
CID 156857315
butyl 4-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 71134469
tert-butyl (3R)-3-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate
CID 90397256
5-methyl-7-pyrrolidin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 166973341
5-phenyl-7-piperidin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 150755871
7-[(3aS,4S,6R,6aR)-6-ethyl-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 59148172
2-bromo-1-methyl-5-(oxan-4-yl)imidazole
CID 117259832
(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 124674969
4-[4-amino-5-(4-aminophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylic acid
CID 130447831
7-(2-chloro-4-pyridinyl)-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363169
5-(4-aminophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 131980319

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 130447864) is 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CCOCC3)cc(Br)c12.
What is the InChIKey of 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is UNTWQYCOTWGYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-8-5-9(7-1-3-17-4-2-7)16-10(8)11(13)14-6-15-16/h5-7H,1-4H2,(H2,13,14,15).
What are the key properties of 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 297.16 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(oxan-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 130447864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).