7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

C17H19BrN6 — CID 66711673

IUPAC7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4ccc(Br)n4n3)c2)CC1
InChIInChI=1S/C17H19BrN6/c1-22-7-9-23(10-8-22)14-4-2-3-13(11-14)20-17-19-12-15-5-6-16(18)24(15)21-17/h2-6,11-12H,7-10H2,1H3,(H,20,21)
InChIKeyCLVNPELICZYQOL-UHFFFAOYSA-N
MW387.29 g/mol
LogP2.99
Rot. Bonds3

About 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 66711673) has the molecular formula C17H19BrN6 and a molecular weight of 387.29 g/mol. Its IUPAC name is 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID66711673
Molecular FormulaC17H19BrN6
Molecular Weight387.29 g/mol
Exact Mass386.09
IUPAC Name7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCN1CCN(c2cccc(Nc3ncc4ccc(Br)n4n3)c2)CC1
InChIInChI=1S/C17H19BrN6/c1-22-7-9-23(10-8-22)14-4-2-3-13(11-14)20-17-19-12-15-5-6-16(18)24(15)21-17/h2-6,11-12H,7-10H2,1H3,(H,20,21)
InChIKeyCLVNPELICZYQOL-UHFFFAOYSA-N
XLogP2.99
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)phenyl]-7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66711644
2-N-[3-(4-methylpiperazin-1-yl)phenyl]-7-N-(pyridin-4-ylmethyl)pyrrolo[2,1-f][1,2,4]triazine-2,7-diamine
CID 66712536
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-(3-piperazin-1-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712093
N-[4-(4-methylpiperazin-1-yl)phenyl]-7-phenylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 46220497
2-[4-[3-[[7-(3-chlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
CID 66711825
7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57399415
7-(furan-2-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 67424857
2-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 69059062
N-[3-(4-methylpiperazin-1-yl)phenyl]-8-prop-1-en-2-ylquinazolin-2-amine
CID 145226199
N-methyl-4-[2-(3-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzamide
CID 66711044
2-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzoic acid
CID 66712335
3-N-[3-(4-methylpiperazin-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 22344680

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 66711673) is 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is CN1CCN(c2cccc(Nc3ncc4ccc(Br)n4n3)c2)CC1.
What is the InChIKey of 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is CLVNPELICZYQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6/c1-22-7-9-23(10-8-22)14-4-2-3-13(11-14)20-17-19-12-15-5-6-16(18)24(15)21-17/h2-6,11-12H,7-10H2,1H3,(H,20,21).
What are the key properties of 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 387.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 66711673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).