3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine

C12H9FN6 — CID 10467579

IUPAC3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine
SMILESNc1nccnc1-c1nc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C12H9FN6/c13-8-4-2-1-3-7(8)11-17-12(19-18-11)9-10(14)16-6-5-15-9/h1-6H,(H2,14,16)(H,17,18,19)
InChIKeyWDXNPPVSCHUBPX-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.65
Rot. Bonds2

About 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine

3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine (PubChem CID 10467579) has the molecular formula C12H9FN6 and a molecular weight of 256.24 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine
PubChem CID10467579
Molecular FormulaC12H9FN6
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine
SMILESNc1nccnc1-c1nc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C12H9FN6/c13-8-4-2-1-3-7(8)11-17-12(19-18-11)9-10(14)16-6-5-15-9/h1-6H,(H2,14,16)(H,17,18,19)
InChIKeyWDXNPPVSCHUBPX-UHFFFAOYSA-N
XLogP1.65
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]pyrimidin-4-amine
CID 10422526
5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine
CID 169499714
4-(2-fluorophenyl)-5-pyrimidin-2-yl-1H-pyrazol-3-amine
CID 114552623
2-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-6-methylpyridine
CID 15957270
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
3-(2-fluorophenyl)-1H-1,2,4-triazole-5-carbaldehyde
CID 55263663
(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine
CID 97287235
(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287100
5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-amine
CID 62648681
3-amino-4-(2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 82079954
6-(2-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171305
5-(2,6-difluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521139

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine?
The IUPAC name of 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine (CID 10467579) is 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine?
The canonical SMILES for 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine is Nc1nccnc1-c1nc(-c2ccccc2F)n[nH]1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine?
The InChIKey is WDXNPPVSCHUBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN6/c13-8-4-2-1-3-7(8)11-17-12(19-18-11)9-10(14)16-6-5-15-9/h1-6H,(H2,14,16)(H,17,18,19).
What are the key properties of 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine?
3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine has a molecular weight of 256.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]pyrazin-2-amine is sourced from PubChem (CID 10467579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).