5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

C10H12BrN5 — CID 139349201

IUPAC5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(Br)cc(CN3CCC3)c12
InChIInChI=1S/C10H12BrN5/c11-8-4-7(5-15-2-1-3-15)9-10(12)13-6-14-16(8)9/h4,6H,1-3,5H2,(H2,12,13,14)
InChIKeyKCBLVSKNJIDVKZ-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.28
Rot. Bonds2

About 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 139349201) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID139349201
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(Br)cc(CN3CCC3)c12
InChIInChI=1S/C10H12BrN5/c11-8-4-7(5-15-2-1-3-15)9-10(12)13-6-14-16(8)9/h4,6H,1-3,5H2,(H2,12,13,14)
InChIKeyKCBLVSKNJIDVKZ-UHFFFAOYSA-N
XLogP1.28
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 139349201) is 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(Br)cc(CN3CCC3)c12.
What is the InChIKey of 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KCBLVSKNJIDVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-8-4-7(5-15-2-1-3-15)9-10(12)13-6-14-16(8)9/h4,6H,1-3,5H2,(H2,12,13,14).
What are the key properties of 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 282.14 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 139349201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).