2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole

C9H10FN3 — CID 142798426

IUPAC2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole
SMILESCN1C=NCN1c1ccc(F)cc1
InChIInChI=1S/C9H10FN3/c1-12-6-11-7-13(12)9-4-2-8(10)3-5-9/h2-6H,7H2,1H3
InChIKeyXLJMIDOAVWHLNZ-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.48
Rot. Bonds1

About 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole

2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole (PubChem CID 142798426) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole
PubChem CID142798426
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole
SMILESCN1C=NCN1c1ccc(F)cc1
InChIInChI=1S/C9H10FN3/c1-12-6-11-7-13(12)9-4-2-8(10)3-5-9/h2-6H,7H2,1H3
InChIKeyXLJMIDOAVWHLNZ-UHFFFAOYSA-N
XLogP1.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59602837
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CID 150439105
2-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
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(3aS,6aS)-5-(4-fluorophenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
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1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
6-chloro-1-(4-fluorophenyl)-3-(4-methylphenyl)-2,4-dihydro-1,3,5-triazine
CID 141072900
2-[3-(4-fluorophenyl)triazol-4-yl]propan-2-ol
CID 117167342
1-(4-fluorophenyl)-3-phenyl-2H-imidazole
CID 59404000
1-(4-fluorophenyl)-1,2,4-triazol-3-amine
CID 115015065
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CID 112888108
1,4-difluorobenzene bromide
CID 21301175

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole?
The IUPAC name of 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole (CID 142798426) is 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole is CN1C=NCN1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole?
The InChIKey is XLJMIDOAVWHLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-12-6-11-7-13(12)9-4-2-8(10)3-5-9/h2-6H,7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole?
2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole has a molecular weight of 179.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methyl-3H-1,2,4-triazole is sourced from PubChem (CID 142798426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).