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

C10H10N4O2 — CID 115395412

IUPAC4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole
SMILESCc1cc([N+](=O)[O-])ccc1-c1nncn1C
InChIInChI=1S/C10H10N4O2/c1-7-5-8(14(15)16)3-4-9(7)10-12-11-6-13(10)2/h3-6H,1-2H3
InChIKeyFSRLLTWFORBBRI-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.70
Rot. Bonds2

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

4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole (PubChem CID 115395412) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole
PubChem CID115395412
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole
SMILESCc1cc([N+](=O)[O-])ccc1-c1nncn1C
InChIInChI=1S/C10H10N4O2/c1-7-5-8(14(15)16)3-4-9(7)10-12-11-6-13(10)2/h3-6H,1-2H3
InChIKeyFSRLLTWFORBBRI-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
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'}

Analyze 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-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

3-(2-methyl-5-nitrophenyl)-4-propan-2-yl-1,2,4-triazole
CID 113301091
[4-methyl-5-(2-methyl-4-nitrophenyl)-1,2,4-triazol-3-yl]methanol
CID 113301758
1,3-dimethyl-2-(2-methyl-4-nitrophenyl)benzene
CID 23565474
N,4-diethyl-5-(2-methyl-4-nitrophenyl)-1,2,4-triazol-3-amine
CID 115945443
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110904
1,2-dimethyl-4-nitrobenzene;ethane
CID 90784792
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
4-methyl-3-(2-methyl-4-nitrophenyl)benzonitrile
CID 70273781
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-nitroaniline
CID 55107302
8-methyl-2-(2-methyl-4-nitrophenyl)quinoline
CID 624082
3-[(2-bromo-5-nitrophenoxy)methyl]-4-methyl-1,2,4-triazole
CID 102975282
4-fluoro-3-(2-methyl-4-nitrophenyl)pyridine
CID 66714730

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole?
The IUPAC name of 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole (CID 115395412) is 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole is Cc1cc([N+](=O)[O-])ccc1-c1nncn1C.
What is the InChIKey of 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole?
The InChIKey is FSRLLTWFORBBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-5-8(14(15)16)3-4-9(7)10-12-11-6-13(10)2/h3-6H,1-2H3.
What are the key properties of 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole?
4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole has a molecular weight of 218.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methyl-4-nitrophenyl)-1,2,4-triazole is sourced from PubChem (CID 115395412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).