7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

C6H4BrN3O — CID 135742061

IUPAC7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2c(Br)ccc12
InChIInChI=1S/C6H4BrN3O/c7-5-2-1-4-6(11)8-3-9-10(4)5/h1-3H,(H,8,9,11)
InChIKeyHPBUVPGCNKEPRJ-UHFFFAOYSA-N
MW214.02 g/mol
LogP0.79
Rot. Bonds

About 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 135742061) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID135742061
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESO=c1[nH]cnn2c(Br)ccc12
InChIInChI=1S/C6H4BrN3O/c7-5-2-1-4-6(11)8-3-9-10(4)5/h1-3H,(H,8,9,11)
InChIKeyHPBUVPGCNKEPRJ-UHFFFAOYSA-N
XLogP0.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1H-pyrrole-2-carboxamide
CID 10419997
3H,4H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135488218
5-bromo-N-(methoxymethyl)-1H-pyrrole-2-carboxamide
CID 21775021
6-Bromopyrrolo[1,2-a]pyrazin-1-ol
CID 84026873
2-Chloro-1H,4H-pyrrolo(2,1-f)(1,2,4)triazin-4-one
CID 135742087
7-bromo-1H,2H-pyrrolo(1,2-a)pyrazin-1-one
CID 75481738
6-Iodopyrrolo[2,1-F][1,2,4]triazin-4(1H)-one
CID 135742057
6-Bromopyrrolo[2,1-f][1,2,4]triazin-4-ol
CID 135742062
5-Bromopyrrolo[2,1-f][1,2,4]triazin-4(1H)-one
CID 135742063
6,7-dibromo-1H,2H-pyrrolo[1,2-a]pyrazin-1-one
CID 11483192
6-Bromo-N-methylpicolinamide
CID 22049738
2-fluoro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 135997975

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one (CID 135742061) is 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is O=c1[nH]cnn2c(Br)ccc12.
What is the InChIKey of 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is HPBUVPGCNKEPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-5-2-1-4-6(11)8-3-9-10(4)5/h1-3H,(H,8,9,11).
What are the key properties of 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one?
7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 214.02 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 135742061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).