4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one

C11H13BrN6O — CID 59232007

IUPAC4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one
SMILESNc1ncnn2c(CN3CCNC(=O)C3)cc(Br)c12
InChIInChI=1S/C11H13BrN6O/c12-8-3-7(4-17-2-1-14-9(19)5-17)18-10(8)11(13)15-6-16-18/h3,6H,1-2,4-5H2,(H,14,19)(H2,13,15,16)
InChIKeyPQVDQMYDSREDHZ-UHFFFAOYSA-N
MW325.17 g/mol
LogP0.01
Rot. Bonds2

About 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one

4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one (PubChem CID 59232007) has the molecular formula C11H13BrN6O and a molecular weight of 325.17 g/mol. Its IUPAC name is 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one
PubChem CID59232007
Molecular FormulaC11H13BrN6O
Molecular Weight325.17 g/mol
Exact Mass324.03
IUPAC Name4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one
SMILESNc1ncnn2c(CN3CCNC(=O)C3)cc(Br)c12
InChIInChI=1S/C11H13BrN6O/c12-8-3-7(4-17-2-1-14-9(19)5-17)18-10(8)11(13)15-6-16-18/h3,6H,1-2,4-5H2,(H,14,19)(H2,13,15,16)
InChIKeyPQVDQMYDSREDHZ-UHFFFAOYSA-N
XLogP0.01
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one with MolForge

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Related Compounds

N-[4-[4-amino-7-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]cyclohepta-1,3,5-trien-1-yl]formamide
CID 143480277
4-[(2-amino-3-pyridinyl)methyl]piperazin-2-one
CID 62472006
4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one
CID 71611869
4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one;hydrate;hydrochloride
CID 156788778
5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 139349201
1-[4-[4-amino-6-(methoxymethyl)-7-[(3-oxopiperazin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69325945
4-[(6-amino-2-pyridinyl)methyl]piperazin-2-one
CID 79243693
7-(morpholin-4-ylmethyl)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 141191635
4-(aminomethyl)piperazin-2-one
CID 170083985
4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one
CID 82507792
5-[(3-oxopiperazin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397934
4-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 80607505

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one (CID 59232007) is 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one is Nc1ncnn2c(CN3CCNC(=O)C3)cc(Br)c12.
What is the InChIKey of 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one?
The InChIKey is PQVDQMYDSREDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN6O/c12-8-3-7(4-17-2-1-14-9(19)5-17)18-10(8)11(13)15-6-16-18/h3,6H,1-2,4-5H2,(H,14,19)(H2,13,15,16).
What are the key properties of 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one?
4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one has a molecular weight of 325.17 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl]piperazin-2-one is sourced from PubChem (CID 59232007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).