1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole

C12H14FN3O — CID 118462755

IUPAC1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole
SMILESCOc1c(C)cccc1-c1ncn(CCF)n1
InChIInChI=1S/C12H14FN3O/c1-9-4-3-5-10(11(9)17-2)12-14-8-16(15-12)7-6-13/h3-5,8H,6-7H2,1-2H3
InChIKeyHYAYSGQUWXJUOV-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole

1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole (PubChem CID 118462755) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole
PubChem CID118462755
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole
SMILESCOc1c(C)cccc1-c1ncn(CCF)n1
InChIInChI=1S/C12H14FN3O/c1-9-4-3-5-10(11(9)17-2)12-14-8-16(15-12)7-6-13/h3-5,8H,6-7H2,1-2H3
InChIKeyHYAYSGQUWXJUOV-UHFFFAOYSA-N
XLogP2.23
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 605283
Methyl 2-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-YL]phenyl ether
CID 1435196
(E)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 146512251
(Z)-3-fluoro-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenoxy]methyl]prop-2-en-1-amine
CID 162369024
3-(4-methoxyphenyl)-1H-1,2,4-triazole
CID 13171053
Propan-2-Yl 3-{3-[3-Methoxy-5-(Trifluoromethyl)phenyl]-1h-1,2,4-Triazol-1-Yl}propanoate
CID 137349632
(Z)-3-[3-[3-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enenitrile
CID 53386182
Ethyl 2-[[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]methyl]prop-2-enoate
CID 86294535
2-{[3-(4-methyl-4H-1,2,4-triazol-3-yl)piperidino]methyl}phenyl trifluoromethyl ether
CID 53192673
5-(4-Methoxyphenyl)-1-methyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,2,4-triazole
CID 139234285
4-Methyl-3-[4-(trifluoromethoxy)phenyl]-4h-1,2,4-triazole
CID 168007977
1-[(2-Methoxyphenyl)methyl]-5-phenyltetrazole
CID 9965185

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole?
The IUPAC name of 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole (CID 118462755) is 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole is COc1c(C)cccc1-c1ncn(CCF)n1.
What is the InChIKey of 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole?
The InChIKey is HYAYSGQUWXJUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-9-4-3-5-10(11(9)17-2)12-14-8-16(15-12)7-6-13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole?
1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole has a molecular weight of 235.26 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(2-methoxy-3-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 118462755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).