7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H18BrN5O — CID 58529514

IUPAC7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CN(Cc4ccccc4)CCO3)cc(Br)c12
InChIInChI=1S/C17H18BrN5O/c18-13-8-14(23-16(13)17(19)20-11-21-23)15-10-22(6-7-24-15)9-12-4-2-1-3-5-12/h1-5,8,11,15H,6-7,9-10H2,(H2,19,20,21)
InChIKeyGVRVVKCQBUQTCN-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.65
Rot. Bonds3

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

7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58529514) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58529514
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(C3CN(Cc4ccccc4)CCO3)cc(Br)c12
InChIInChI=1S/C17H18BrN5O/c18-13-8-14(23-16(13)17(19)20-11-21-23)15-10-22(6-7-24-15)9-12-4-2-1-3-5-12/h1-5,8,11,15H,6-7,9-10H2,(H2,19,20,21)
InChIKeyGVRVVKCQBUQTCN-UHFFFAOYSA-N
XLogP2.65
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[7-(Methoxymethyl)-4-morpholin-4-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
CID 122184952
5-[7-(methoxymethyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
CID 122185248
[4-[4-Amino-7-(morpholin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 90389028
5-[7-(methoxymethyl)-4-[(3R)-3-methylmorpholin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrimidin-2-amine
CID 122185249
6-fluoro-2-[(4-fluorophenyl)-methoxymethyl]-N-(3-methyl-2H-pyrrol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494445
7-[(3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 69180081
7-[(2S,3R,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 69180085
N-[2-[(4-fluorophenyl)-[2-(4-methylpiperazin-1-yl)ethoxy]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 70927380
N'-[2-[2-(dimethylamino)ethoxy-(4-fluorophenyl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-methylbut-2-enimidamide
CID 89107434
N'-[2-[(4-fluorophenyl)-(3-piperazin-1-ylpropoxy)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-methylbut-2-enimidamide
CID 90791322
N-[2-[(4-fluorophenyl)-(oxan-4-yloxy)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-N',3-dimethylbut-2-enimidamide
CID 90927269
N'-[2-[(4-fluorophenyl)-[2-(4-methylpiperazin-1-yl)ethoxy]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]-3-methylbut-2-enimidamide
CID 91057466

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58529514) is 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(C3CN(Cc4ccccc4)CCO3)cc(Br)c12.
What is the InChIKey of 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is GVRVVKCQBUQTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c18-13-8-14(23-16(13)17(19)20-11-21-23)15-10-22(6-7-24-15)9-12-4-2-1-3-5-12/h1-5,8,11,15H,6-7,9-10H2,(H2,19,20,21).
What are the key properties of 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 388.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylmorpholin-2-yl)-5-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58529514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).