1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole

C8H2Cl3N5O2 — CID 174952354

IUPAC1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole
SMILESO=Nc1c(Cl)c(N=O)c(Cl)c(-n2cncn2)c1Cl
InChIInChI=1S/C8H2Cl3N5O2/c9-3-6(14-17)4(10)8(5(11)7(3)15-18)16-2-12-1-13-16/h1-2H
InChIKeyLJBYYROQHZUYDA-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.02
Rot. Bonds3

About 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole

1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole (PubChem CID 174952354) has the molecular formula C8H2Cl3N5O2 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole
PubChem CID174952354
Molecular FormulaC8H2Cl3N5O2
Molecular Weight306.50 g/mol
Exact Mass304.93
IUPAC Name1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole
SMILESO=Nc1c(Cl)c(N=O)c(Cl)c(-n2cncn2)c1Cl
InChIInChI=1S/C8H2Cl3N5O2/c9-3-6(14-17)4(10)8(5(11)7(3)15-18)16-2-12-1-13-16/h1-2H
InChIKeyLJBYYROQHZUYDA-UHFFFAOYSA-N
XLogP4.02
TPSA89.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-dichloro-3-methyl-2-(1,2,4-triazol-1-yl)benzoic acid
CID 57007872
3-amino-5-chloro-4-(1,2,4-triazol-1-yl)benzoic acid
CID 84700834
3-chloro-N-methyl-2-(1,2,4-triazol-1-yl)aniline
CID 63090210
1-[4-(chloromethyl)-2,6-difluorophenyl]-1,2,4-triazole
CID 63077069
2-chloro-5-(1,2,4-triazol-1-yl)pyrazine
CID 77231195
1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
CID 132534548
5-chloro-4-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 168877940
3,5-dimethyl-2-(1,2,4-triazol-1-yl)phenol
CID 11805507
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide
CID 103028879
1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]-1,2,4-triazole
CID 173038498
5-tert-butyl-3-(4-chlorophenyl)-4-(1,2,4-triazol-1-yl)-1,2-oxazole
CID 141270233

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole?
The IUPAC name of 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole (CID 174952354) is 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole?
The canonical SMILES for 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole is O=Nc1c(Cl)c(N=O)c(Cl)c(-n2cncn2)c1Cl.
What is the InChIKey of 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole?
The InChIKey is LJBYYROQHZUYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl3N5O2/c9-3-6(14-17)4(10)8(5(11)7(3)15-18)16-2-12-1-13-16/h1-2H.
What are the key properties of 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole?
1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole has a molecular weight of 306.50 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trichloro-3,5-dinitrosophenyl)-1,2,4-triazole is sourced from PubChem (CID 174952354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).