3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C18H17FN4O2 — CID 11416515

IUPAC3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cccc(-c2n[nH]c(C(N)=O)n2)c1
InChIInChI=1S/C18H17FN4O2/c1-2-8-25-15-7-6-13(19)10-14(15)11-4-3-5-12(9-11)17-21-18(16(20)24)23-22-17/h3-7,9-10H,2,8H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyQGEJQOYCCIRBIN-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.17
Rot. Bonds6

About 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 11416515) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID11416515
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cccc(-c2n[nH]c(C(N)=O)n2)c1
InChIInChI=1S/C18H17FN4O2/c1-2-8-25-15-7-6-13(19)10-14(15)11-4-3-5-12(9-11)17-21-18(16(20)24)23-22-17/h3-7,9-10H,2,8H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyQGEJQOYCCIRBIN-UHFFFAOYSA-N
XLogP3.17
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[5-fluoro-2-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11167536
ethane;3-[3-[2-(4-fluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 143049137
3-[3-[2-(3,5-difluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide;ethane
CID 143049138
3-[3-[2-(2,3,4-trifluorophenyl)phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11463529
ethyl 3-(3-propoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381918
3-[3-(2-bromophenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide;2-ethoxyethyl(trimethyl)silane
CID 159416478
3-[3-[2-[3-(2-methylhydrazinyl)phenyl]phenyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 143049125
3-(4-fluorophenyl)-4-propoxybenzoic acid
CID 134391719
ethyl 3-(2,5-difluorophenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381416
6-[3-[5-fluoro-2-(2,2,3,3,3-pentafluoropropoxy)phenyl]phenyl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 11719762
3-[4,5-difluoro-2-(3-fluorophenyl)-3-phenylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 174514938
3-(4-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 91611276

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 11416515) is 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is CCCOc1ccc(F)cc1-c1cccc(-c2n[nH]c(C(N)=O)n2)c1.
What is the InChIKey of 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QGEJQOYCCIRBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-2-8-25-15-7-6-13(19)10-14(15)11-4-3-5-12(9-11)17-21-18(16(20)24)23-22-17/h3-7,9-10H,2,8H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 11416515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).