2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine

C14H9FN6 — CID 141215059

IUPAC2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine
SMILESFc1cc(-c2cnc3nccn3n2)ccc1-n1ccnc1
InChIInChI=1S/C14H9FN6/c15-11-7-10(1-2-13(11)20-5-3-16-9-20)12-8-18-14-17-4-6-21(14)19-12/h1-9H
InChIKeyHMDDLMJGLFJFEU-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.12
Rot. Bonds2

About 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine

2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 141215059) has the molecular formula C14H9FN6 and a molecular weight of 280.27 g/mol. Its IUPAC name is 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine
PubChem CID141215059
Molecular FormulaC14H9FN6
Molecular Weight280.27 g/mol
Exact Mass280.09
IUPAC Name2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine
SMILESFc1cc(-c2cnc3nccn3n2)ccc1-n1ccnc1
InChIInChI=1S/C14H9FN6/c15-11-7-10(1-2-13(11)20-5-3-16-9-20)12-8-18-14-17-4-6-21(14)19-12/h1-9H
InChIKeyHMDDLMJGLFJFEU-UHFFFAOYSA-N
XLogP2.12
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
3-fluoro-4-imidazol-1-ylbenzenesulfinic acid
CID 68530217
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-oxoacetic acid
CID 117339835
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
N-[[3-(3-fluoro-4-imidazol-1-ylphenyl)-1,2-oxazol-5-yl]methyl]-3-methyl-1,2-thiazol-5-amine
CID 59983643
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid
CID 117344197
3-(3-fluoro-4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 66960769
6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazine
CID 116854254
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
CID 155472277

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine (CID 141215059) is 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine is Fc1cc(-c2cnc3nccn3n2)ccc1-n1ccnc1.
What is the InChIKey of 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is HMDDLMJGLFJFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN6/c15-11-7-10(1-2-13(11)20-5-3-16-9-20)12-8-18-14-17-4-6-21(14)19-12/h1-9H.
What are the key properties of 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine?
2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 280.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-imidazol-1-ylphenyl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 141215059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).