3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole

C10H10FN3 — CID 115395245

IUPAC3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1Cc1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c1-14-7-12-13-10(14)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKeyHWCCGBKGINKAOT-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.54
Rot. Bonds2

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

3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole (PubChem CID 115395245) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole
PubChem CID115395245
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1Cc1ccc(F)cc1
InChIInChI=1S/C10H10FN3/c1-14-7-12-13-10(14)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3
InChIKeyHWCCGBKGINKAOT-UHFFFAOYSA-N
XLogP1.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328885
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
2-[(4-fluorophenyl)methyl]-1-methylimidazol-4-ol
CID 106952479
3-(bromomethyl)-5-[(4-fluorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113302536
(1S)-1-(4-fluorophenyl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylmethanamine
CID 97076119
3-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-4-methyl-1,2,4-triazole
CID 112781675
[2-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
CID 81317863
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62693867
1-(4-fluorophenyl)-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
CID 63332212
4-[(4-fluorophenyl)methyl]-3-methylsulfanyl-1,2,4-triazole
CID 174868076
3-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazole
CID 86818498
1-[4-(difluoromethyl)phenyl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 115523846

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole (CID 115395245) is 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole is Cn1cnnc1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole?
The InChIKey is HWCCGBKGINKAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-14-7-12-13-10(14)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole?
3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole has a molecular weight of 191.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 115395245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).