3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole

C10H9ClFN3O — CID 119070580

IUPAC3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole
SMILESCOCc1nc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C10H9ClFN3O/c1-16-5-9-13-10(15-14-9)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyVBECAXKGFUHKMN-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.41
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole

3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole (PubChem CID 119070580) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole
PubChem CID119070580
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole
SMILESCOCc1nc(-c2ccc(F)c(Cl)c2)n[nH]1
InChIInChI=1S/C10H9ClFN3O/c1-16-5-9-13-10(15-14-9)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyVBECAXKGFUHKMN-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136769988
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
ethyl 3-(3-chloro-4-fluorophenyl)-1H-1,2,4-triazole-5-carboxylate
CID 82880077
5-(chloromethyl)-3-(3,4-difluorophenyl)-1H-1,2,4-triazole
CID 79599919
2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63087865
5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1H-1,2,4-triazole
CID 62920233
[2-(3-chloro-4-fluorophenyl)-6-(methoxymethyl)pyrimidin-4-yl]hydrazine
CID 63086854
3-[3-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 107923108
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-fluoroaniline
CID 63187974
2-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 56773382
3-(4-chlorophenyl)-5-propyl-1H-1,2,4-triazole
CID 61338485
4-[5-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 4730484

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole (CID 119070580) is 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole is COCc1nc(-c2ccc(F)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole?
The InChIKey is VBECAXKGFUHKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-16-5-9-13-10(15-14-9)6-2-3-8(12)7(11)4-6/h2-4H,5H2,1H3,(H,13,14,15).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole?
3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole has a molecular weight of 241.65 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-5-(methoxymethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 119070580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).