8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine

C9H11BrN4 — CID 167052639

IUPAC8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine
SMILESCCC1=C2C(N)=NC=NN2C(Br)=CC1
InChIInChI=1S/C9H11BrN4/c1-2-6-3-4-7(10)14-8(6)9(11)12-5-13-14/h4-5H,2-3H2,1H3,(H2,11,12,13)
InChIKeySPMIQOORMSIFPZ-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.91
Rot. Bonds1

About 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine

8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine (PubChem CID 167052639) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine
PubChem CID167052639
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine
SMILESCCC1=C2C(N)=NC=NN2C(Br)=CC1
InChIInChI=1S/C9H11BrN4/c1-2-6-3-4-7(10)14-8(6)9(11)12-5-13-14/h4-5H,2-3H2,1H3,(H2,11,12,13)
InChIKeySPMIQOORMSIFPZ-UHFFFAOYSA-N
XLogP1.91
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1,2-diethylcyclopenta-1,3-diene
CID 173084452
3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
CID 22347909
2,6,7-trichloro-3-ethyl-4H-azepine
CID 174251577
2-chloro-3-ethyl-6,7-dimethyl-4H-azepine
CID 123489443
5-ethyl-4H-imidazole
CID 58352499
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
7-bromo-2-ethyl-1-methylbenzimidazol-5-amine
CID 82381674
6-bromo-2-ethylpyrimidin-4-amine
CID 45094626
7-bromo-2-ethylthieno[3,2-d]pyrimidin-4-amine
CID 130051359
1-tert-butyl-4-(4,5-diethylcyclopenta-1,4-dien-1-yl)benzene
CID 12975325
(2R,3R,4S,5R)-2-(4-amino-6,7-dihydropyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2,3-dicarbonitrile
CID 167208086
3-[(4-amino-2-bromophenyl)methylsulfanyl]-5-ethyl-1,2,4-triazol-4-amine
CID 95910906

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine (CID 167052639) is 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine is CCC1=C2C(N)=NC=NN2C(Br)=CC1.
What is the InChIKey of 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is SPMIQOORMSIFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-2-6-3-4-7(10)14-8(6)9(11)12-5-13-14/h4-5H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine?
8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 255.12 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-ethyl-6H-pyrido[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 167052639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).