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

C10H10FN3 — CID 172850572

IUPAC1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
SMILESCc1ncn(Cc2ccccc2F)n1
InChIInChI=1S/C10H10FN3/c1-8-12-7-14(13-8)6-9-4-2-3-5-10(9)11/h2-5,7H,6H2,1H3
InChIKeyXZXPTIBAHIEGMN-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.77
Rot. Bonds2

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

1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole (PubChem CID 172850572) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
PubChem CID172850572
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole
SMILESCc1ncn(Cc2ccccc2F)n1
InChIInChI=1S/C10H10FN3/c1-8-12-7-14(13-8)6-9-4-2-3-5-10(9)11/h2-5,7H,6H2,1H3
InChIKeyXZXPTIBAHIEGMN-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22771690
1-[(4-chlorophenyl)methyl]-3-methyl-1,2,4-triazole
CID 174891258
3-methyl-1-[(4-phenylphenyl)methyl]-1,2,4-triazole
CID 141321265
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22771717
1-[(2-fluorophenyl)methyl]-4-methyl-3-nitropyrazole
CID 171134022
1-[(2-fluorophenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 52751123
4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 4770418
4-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477053
4-ethyl-1-[(2-fluorophenyl)methyl]imidazole
CID 155366804
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
CID 7019295
4-ethynyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 122240593
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19516666

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole (CID 172850572) is 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole is Cc1ncn(Cc2ccccc2F)n1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole?
The InChIKey is XZXPTIBAHIEGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-8-12-7-14(13-8)6-9-4-2-3-5-10(9)11/h2-5,7H,6H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole?
1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole has a molecular weight of 191.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-methyl-1,2,4-triazole is sourced from PubChem (CID 172850572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).