5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole

C17H16N4O4 — CID 88580137

IUPAC5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1cc(-n2nncc2-c2ccc(N=O)cc2)cc(OC)c1OC
InChIInChI=1S/C17H16N4O4/c1-23-15-8-13(9-16(24-2)17(15)25-3)21-14(10-18-20-21)11-4-6-12(19-22)7-5-11/h4-10H,1-3H3
InChIKeyYQCDVZZRSKMLEV-UHFFFAOYSA-N
MW340.34 g/mol
LogP3.36
Rot. Bonds6

About 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole

5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole (PubChem CID 88580137) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole.

Molecular Properties

Compound Name5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
PubChem CID88580137
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole
SMILESCOc1cc(-n2nncc2-c2ccc(N=O)cc2)cc(OC)c1OC
InChIInChI=1S/C17H16N4O4/c1-23-15-8-13(9-16(24-2)17(15)25-3)21-14(10-18-20-21)11-4-6-12(19-22)7-5-11/h4-10H,1-3H3
InChIKeyYQCDVZZRSKMLEV-UHFFFAOYSA-N
XLogP3.36
TPSA87.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] sulfate
CID 59430037
N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]acetamide
CID 59430003
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] hydrogen sulfate
CID 59430038
2-[4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 70864213
[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 59430247
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] dihydrogen phosphate
CID 173007607
5-azido-1,2,3-trimethoxybenzene;N,N-dimethyl-4-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]aniline;4-ethynyl-N,N-dimethylaniline;methane
CID 160587865
ethyl [2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl] hydrogen phosphate
CID 58987633
2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]propanamide
CID 25030486
methoxy-[3-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]phenyl]carbamic acid
CID 87508063
1-(4-phenoxyphenyl)-5-(3,4,5-trimethoxyphenyl)triazole
CID 25067758
2-amino-N-[5-[3-(3-hydroxy-4,5-dimethoxyphenyl)triazol-4-yl]-2-methoxyphenyl]acetamide
CID 71218480

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The IUPAC name of 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole (CID 88580137) is 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole.
What is the SMILES notation for 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The canonical SMILES for 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole is COc1cc(-n2nncc2-c2ccc(N=O)cc2)cc(OC)c1OC.
What is the InChIKey of 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
The InChIKey is YQCDVZZRSKMLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-23-15-8-13(9-16(24-2)17(15)25-3)21-14(10-18-20-21)11-4-6-12(19-22)7-5-11/h4-10H,1-3H3.
What are the key properties of 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole?
5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole has a molecular weight of 340.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrosophenyl)-1-(3,4,5-trimethoxyphenyl)triazole is sourced from PubChem (CID 88580137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).