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

C14H10BrN5 — CID 170985982

IUPAC7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(Br)cc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C14H10BrN5/c15-12-6-9(13-14(16)17-7-18-20(12)13)11-5-8-3-1-2-4-10(8)19-11/h1-7,19H,(H2,16,17,18)
InChIKeyQKKOFKMVRNVVLD-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.22
Rot. Bonds1

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

7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 170985982) has the molecular formula C14H10BrN5 and a molecular weight of 328.17 g/mol. Its IUPAC name is 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID170985982
Molecular FormulaC14H10BrN5
Molecular Weight328.17 g/mol
Exact Mass327.01
IUPAC Name7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESNc1ncnn2c(Br)cc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C14H10BrN5/c15-12-6-9(13-14(16)17-7-18-20(12)13)11-5-8-3-1-2-4-10(8)19-11/h1-7,19H,(H2,16,17,18)
InChIKeyQKKOFKMVRNVVLD-UHFFFAOYSA-N
XLogP3.22
TPSA72.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[4-amino-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-2,2-dimethylmorpholin-3-one
CID 137211086
5-(1H-indol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118034586
7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145068521
5-bromo-4-(1H-indol-2-yl)-1,3-oxazol-2-amine
CID 150300739
2-(4-bromo-2-pyridinyl)-1H-indole
CID 152567330
4-amino-7-bromopyrrolo[2,1-f][1,2,4]triazine-5-carbonitrile
CID 130362883
2-(1H-diazirin-3-yl)-1H-indole
CID 137250152
7-(1H-indol-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 10198842
4-(1H-indol-2-yl)-3-methylaniline
CID 141440028
2-(2-iodophenyl)-1H-indole
CID 12996175
5-(azetidin-1-ylmethyl)-7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 139349201
7-bromo-5-(2-trimethylsilylethynyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 140823285

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 170985982) is 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Nc1ncnn2c(Br)cc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is QKKOFKMVRNVVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5/c15-12-6-9(13-14(16)17-7-18-20(12)13)11-5-8-3-1-2-4-10(8)19-11/h1-7,19H,(H2,16,17,18).
What are the key properties of 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 328.17 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 170985982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).