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

C18H17FN4O2 — CID 11256298

IUPAC3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCOc1ccccc1-c1cc(-c2n[nH]c(C(N)=O)n2)ccc1F
InChIInChI=1S/C18H17FN4O2/c1-2-9-25-15-6-4-3-5-12(15)13-10-11(7-8-14(13)19)17-21-18(16(20)24)23-22-17/h3-8,10H,2,9H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyYZZOOQYDSJEAIY-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.17
Rot. Bonds6

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

3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 11256298) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID11256298
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCOc1ccccc1-c1cc(-c2n[nH]c(C(N)=O)n2)ccc1F
InChIInChI=1S/C18H17FN4O2/c1-2-9-25-15-6-4-3-5-12(15)13-10-11(7-8-14(13)19)17-21-18(16(20)24)23-22-17/h3-8,10H,2,9H2,1H3,(H2,20,24)(H,21,22,23)
InChIKeyYZZOOQYDSJEAIY-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 11256298) is 3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is CCCOc1ccccc1-c1cc(-c2n[nH]c(C(N)=O)n2)ccc1F.
What is the InChIKey of 3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is YZZOOQYDSJEAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-2-9-25-15-6-4-3-5-12(15)13-10-11(7-8-14(13)19)17-21-18(16(20)24)23-22-17/h3-8,10H,2,9H2,1H3,(H2,20,24)(H,21,22,23).
What are the key properties of 3-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-[4-fluoro-3-(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-[4-fluoro-3-(2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 11256298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).