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

C10H10N4O2 — CID 163942660

IUPAC5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole
SMILESCc1cc([N+](=O)[O-])ccc1-n1ncnc1C
InChIInChI=1S/C10H10N4O2/c1-7-5-9(14(15)16)3-4-10(7)13-8(2)11-6-12-13/h3-6H,1-2H3
InChIKeyRSIXOWDMJARFQE-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.79
Rot. Bonds2

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

5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole (PubChem CID 163942660) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole
PubChem CID163942660
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole
SMILESCc1cc([N+](=O)[O-])ccc1-n1ncnc1C
InChIInChI=1S/C10H10N4O2/c1-7-5-9(14(15)16)3-4-10(7)13-8(2)11-6-12-13/h3-6H,1-2H3
InChIKeyRSIXOWDMJARFQE-UHFFFAOYSA-N
XLogP1.79
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(2-chloro-4-nitrophenyl)-5-methyl-1,2,4-triazole
CID 134610331
1-(2-fluoro-4-nitrophenyl)-5-methyl-1,2,4-triazole
CID 58414461
1-(3,6-dimethyl-2-nitrophenyl)-5-methyl-1,2,4-triazole
CID 56613378
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
3-methyl-1-(2-methyl-4-nitrophenyl)pyrrole-2,5-dione
CID 54940825
6,6-dimethyl-3-(2-methyl-4-nitrophenyl)-3-azabicyclo[3.1.0]hexane
CID 133341058
1-tert-butyl-4-(2-methyl-4-nitrophenyl)piperazine
CID 70571438
1-(2-methyl-4-nitrophenyl)imidazolidin-2-one
CID 115370555
[1-(2-methyl-4-nitrophenyl)triazol-4-yl]methanol
CID 62399567
4-(3-chloropropyl)-1-(2-methyl-4-nitrophenyl)triazole
CID 113374553
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
N-methyl-1-[1-(2-methyl-4-nitrophenyl)triazol-4-yl]methanamine
CID 66205884

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole?
The IUPAC name of 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole (CID 163942660) is 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole.
What is the SMILES notation for 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole?
The canonical SMILES for 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole is Cc1cc([N+](=O)[O-])ccc1-n1ncnc1C.
What is the InChIKey of 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole?
The InChIKey is RSIXOWDMJARFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-5-9(14(15)16)3-4-10(7)13-8(2)11-6-12-13/h3-6H,1-2H3.
What are the key properties of 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole?
5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole has a molecular weight of 218.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methyl-4-nitrophenyl)-1,2,4-triazole is sourced from PubChem (CID 163942660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).