5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole

C10H10N4O3 — CID 90142163

IUPAC5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
SMILESCOc1c(-c2ncnn2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O3/c1-13-10(11-6-12-13)7-4-3-5-8(14(15)16)9(7)17-2/h3-6H,1-2H3
InChIKeyGSEOPPSXZJTEBB-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.40
Rot. Bonds3

About 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole

5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole (PubChem CID 90142163) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
PubChem CID90142163
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole
SMILESCOc1c(-c2ncnn2C)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O3/c1-13-10(11-6-12-13)7-4-3-5-8(14(15)16)9(7)17-2/h3-6H,1-2H3
InChIKeyGSEOPPSXZJTEBB-UHFFFAOYSA-N
XLogP1.40
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.40
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-(2-methoxy-3-nitrophenyl)-2,5-dimethyl-1,3-oxazole
CID 166130645
1-methyl-3-[3-nitro-2-(trideuteriomethoxy)phenyl]-1,2,4-triazole
CID 151375911
1-(2,2-difluoroethyl)-3-(2-methoxy-3-nitrophenyl)-1,2,4-triazole
CID 170439732
4-(2-methoxy-3-nitrophenyl)benzaldehyde
CID 57483828
1-ethyl-5-(2-nitrophenyl)-1,2,4-triazole
CID 22493427
1-(2-methoxy-3-nitrophenyl)pyrazole
CID 90135701
potassium 2-methoxy-3-nitrophenol
CID 67083613
carbanide;2-methoxy-3-(2-methyltetrazol-5-yl)aniline;5-(2-methoxy-3-nitrophenyl)-2-methyltetrazole;palladium
CID 158623427
2-[4-(2-methoxy-3-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazole
CID 59615691
2-(1-chloroethyl)-5-(2-methoxy-3-nitrophenyl)-1,3,4-thiadiazole
CID 113386736
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
1-(2-methoxyphenyl)-2-methyl-3-nitrobenzene
CID 10868487

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole (CID 90142163) is 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole is COc1c(-c2ncnn2C)cccc1[N+](=O)[O-].
What is the InChIKey of 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole?
The InChIKey is GSEOPPSXZJTEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-13-10(11-6-12-13)7-4-3-5-8(14(15)16)9(7)17-2/h3-6H,1-2H3.
What are the key properties of 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole?
5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole has a molecular weight of 234.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3-nitrophenyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 90142163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).