5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine

C14H10ClFN4O — CID 127025804

IUPAC5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2Oc2ccccc2F)n1
InChIInChI=1S/C14H10ClFN4O/c15-8-5-6-9(13-18-14(17)20-19-13)12(7-8)21-11-4-2-1-3-10(11)16/h1-7H,(H3,17,18,19,20)
InChIKeyMINBJLKHMNKUSR-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.64
Rot. Bonds3

About 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine

5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 127025804) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine
PubChem CID127025804
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2Oc2ccccc2F)n1
InChIInChI=1S/C14H10ClFN4O/c15-8-5-6-9(13-18-14(17)20-19-13)12(7-8)21-11-4-2-1-3-10(11)16/h1-7H,(H3,17,18,19,20)
InChIKeyMINBJLKHMNKUSR-UHFFFAOYSA-N
XLogP3.64
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine
CID 107987260
5-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 169499779
5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-amine
CID 62648681
5-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 106818724
5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 62516530
5-(4-fluoro-3-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 81283303
5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61354585
5-(3-amino-4-fluorophenyl)-1H-1,2,4-triazol-3-amine
CID 61319952
3-(2-fluorophenoxy)-1H-pyrazol-5-amine
CID 83619620
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
5-(3-fluoro-2-pyridinyl)-1H-1,2,4-triazol-3-amine
CID 169499714
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358

Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine (CID 127025804) is 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccc(Cl)cc2Oc2ccccc2F)n1.
What is the InChIKey of 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is MINBJLKHMNKUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-8-5-6-9(13-18-14(17)20-19-13)12(7-8)21-11-4-2-1-3-10(11)16/h1-7H,(H3,17,18,19,20).
What are the key properties of 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine?
5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 304.71 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 127025804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).