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

C12H15BrN4 — CID 169117947

IUPAC5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCC1(c2cc(Br)c3cnc(N)nn23)CCC1
InChIInChI=1S/C12H15BrN4/c1-2-12(4-3-5-12)10-6-8(13)9-7-15-11(14)16-17(9)10/h6-7H,2-5H2,1H3,(H2,14,16)
InChIKeyKMABKKISPAQOAR-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.91
Rot. Bonds2

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

5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169117947) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169117947
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCCC1(c2cc(Br)c3cnc(N)nn23)CCC1
InChIInChI=1S/C12H15BrN4/c1-2-12(4-3-5-12)10-6-8(13)9-7-15-11(14)16-17(9)10/h6-7H,2-5H2,1H3,(H2,14,16)
InChIKeyKMABKKISPAQOAR-UHFFFAOYSA-N
XLogP2.91
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169117947) is 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is CCC1(c2cc(Br)c3cnc(N)nn23)CCC1.
What is the InChIKey of 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is KMABKKISPAQOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-2-12(4-3-5-12)10-6-8(13)9-7-15-11(14)16-17(9)10/h6-7H,2-5H2,1H3,(H2,14,16).
What are the key properties of 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 295.18 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(1-ethylcyclobutyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169117947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).