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

C14H10Cl2N4O — CID 10018962

IUPAC5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2Oc2ccccc2Cl)n1
InChIInChI=1S/C14H10Cl2N4O/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)
InChIKeyUGLUBMZDTQJSPP-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.15
Rot. Bonds3

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

5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 10018962) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine
PubChem CID10018962
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2Oc2ccccc2Cl)n1
InChIInChI=1S/C14H10Cl2N4O/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)
InChIKeyUGLUBMZDTQJSPP-UHFFFAOYSA-N
XLogP4.15
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine (CID 10018962) is 5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccc(Cl)cc2Oc2ccccc2Cl)n1.
What is the InChIKey of 5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine?
The InChIKey is UGLUBMZDTQJSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/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-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine?
5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 321.17 g/mol, XLogP of 4.15, 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-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 10018962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).