2-(4-fluorophenyl)-4,5-dimethyltriazole

C10H10FN3 — CID 58897447

IUPAC2-(4-fluorophenyl)-4,5-dimethyltriazole
SMILESCc1nn(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C10H10FN3/c1-7-8(2)13-14(12-7)10-5-3-9(11)4-6-10/h3-6H,1-2H3
InChIKeyMNBGXAVVCPXCAG-UHFFFAOYSA-N
MW191.21 g/mol
LogP2.02
Rot. Bonds1

About 2-(4-fluorophenyl)-4,5-dimethyltriazole

2-(4-fluorophenyl)-4,5-dimethyltriazole (PubChem CID 58897447) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5-dimethyltriazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5-dimethyltriazole
PubChem CID58897447
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name2-(4-fluorophenyl)-4,5-dimethyltriazole
SMILESCc1nn(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C10H10FN3/c1-7-8(2)13-14(12-7)10-5-3-9(11)4-6-10/h3-6H,1-2H3
InChIKeyMNBGXAVVCPXCAG-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluorophenyl)triazole
CID 123365637
2-(4-Fluorophenyl)benzotriazole
CID 11571239
2H-1,2,3-Diazaphosphole, 5-methyl-2-phenyl-
CID 2784572
4-Methyl-2-phenyl-2h-1,2,3-triazole
CID 12686648
4,5-Dimethyl-2-phenyl-1,2,3-triazol-1-oxide
CID 12921197
2-Phenyl-2,4,5,6-tetrahydrocyclopenta-1,2,3-triazole
CID 15421899
(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine
CID 2776450
4-(Chloromethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
CID 338434
4-(Bromomethyl)-5-methyl-2-phenyl-2H-1,2,3-triazole
CID 338710
(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanamine hydrochloride
CID 133054194
5-methyl-2-phenyl-2H-1,2,3-triazol-4-amine hydrochloride
CID 137971716
1-(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)ethan-1-amine hydrochloride
CID 138006951

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5-dimethyltriazole?
The IUPAC name of 2-(4-fluorophenyl)-4,5-dimethyltriazole (CID 58897447) is 2-(4-fluorophenyl)-4,5-dimethyltriazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5-dimethyltriazole?
The canonical SMILES for 2-(4-fluorophenyl)-4,5-dimethyltriazole is Cc1nn(-c2ccc(F)cc2)nc1C.
What is the InChIKey of 2-(4-fluorophenyl)-4,5-dimethyltriazole?
The InChIKey is MNBGXAVVCPXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-7-8(2)13-14(12-7)10-5-3-9(11)4-6-10/h3-6H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4,5-dimethyltriazole?
2-(4-fluorophenyl)-4,5-dimethyltriazole has a molecular weight of 191.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5-dimethyltriazole is sourced from PubChem (CID 58897447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).