4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole

C15H10Cl2N4O3 — CID 141447831

IUPAC4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCc1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C15H10Cl2N4O3/c16-10-5-6-15(14(7-10)21(22)23)24-9-11-8-20(19-18-11)13-4-2-1-3-12(13)17/h1-8H,9H2
InChIKeyABMPHTPUZISYPM-UHFFFAOYSA-N
MW365.18 g/mol
LogP4.06
Rot. Bonds5

About 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole

4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole (PubChem CID 141447831) has the molecular formula C15H10Cl2N4O3 and a molecular weight of 365.18 g/mol. Its IUPAC name is 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole.

Molecular Properties

Compound Name4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole
PubChem CID141447831
Molecular FormulaC15H10Cl2N4O3
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole
SMILESO=[N+]([O-])c1cc(Cl)ccc1OCc1cn(-c2ccccc2Cl)nn1
InChIInChI=1S/C15H10Cl2N4O3/c16-10-5-6-15(14(7-10)21(22)23)24-9-11-8-20(19-18-11)13-4-2-1-3-12(13)17/h1-8H,9H2
InChIKeyABMPHTPUZISYPM-UHFFFAOYSA-N
XLogP4.06
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-[(2-chlorophenyl)methoxy]-2-nitrobenzene
CID 134122523
6-nitro-7-[[1-(2-nitrophenyl)triazol-4-yl]methoxy]quinoline
CID 166450252
7-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-6-nitroquinoline
CID 166450205
[1-(4-chloro-2-nitrophenyl)triazol-4-yl]methanol
CID 62400515
7-[[1-(2-methoxyphenyl)triazol-4-yl]methoxy]-6-nitroquinoline
CID 166450237
4-[[1-(4-chloro-2-nitrophenyl)triazol-4-yl]methoxy]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 164517380
2-[(4-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251756
[1-(4-chloro-2-nitrophenyl)triazol-4-yl]-trimethylsilane
CID 162758143
4-chloro-2-nitro-1-phenylmethoxybenzene;5-chloro-2-phenylmethoxyaniline
CID 157392009
6-[(4-chloro-2-nitrophenoxy)methyl]-N-ethylpyridin-2-amine
CID 79231263
4-[(2-chlorophenoxy)methyl]-1-phenyltriazole
CID 3065713
4-chloro-1-[(3-fluorophenyl)methoxy]-2-nitrobenzene
CID 52891645

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole?
The IUPAC name of 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole (CID 141447831) is 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole.
What is the SMILES notation for 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole?
The canonical SMILES for 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole is O=[N+]([O-])c1cc(Cl)ccc1OCc1cn(-c2ccccc2Cl)nn1.
What is the InChIKey of 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole?
The InChIKey is ABMPHTPUZISYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O3/c16-10-5-6-15(14(7-10)21(22)23)24-9-11-8-20(19-18-11)13-4-2-1-3-12(13)17/h1-8H,9H2.
What are the key properties of 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole?
4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole has a molecular weight of 365.18 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-nitrophenoxy)methyl]-1-(2-chlorophenyl)triazole is sourced from PubChem (CID 141447831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).