5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine

C10H11N5O2 — CID 79508197

IUPAC5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine
SMILESCc1cc(-n2nnc(N)c2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-6-5-8(3-4-9(6)15(16)17)14-7(2)10(11)12-13-14/h3-5H,11H2,1-2H3
InChIKeyWZOJBRQSSUNQQL-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.37
Rot. Bonds2

About 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine

5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine (PubChem CID 79508197) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine
PubChem CID79508197
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine
SMILESCc1cc(-n2nnc(N)c2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2/c1-6-5-8(3-4-9(6)15(16)17)14-7(2)10(11)12-13-14/h3-5H,11H2,1-2H3
InChIKeyWZOJBRQSSUNQQL-UHFFFAOYSA-N
XLogP1.37
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
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

1-(4-fluoro-3-nitrophenyl)-5-methyltriazol-4-amine
CID 79508285
1-(3-methyl-4-nitrophenyl)-5-propyltriazol-4-amine
CID 79508306
1-(5-chloro-2-methyl-4-nitrophenyl)-5-methyltriazol-4-amine
CID 113439032
1-(3-methyl-4-nitrophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 102942792
5-methyl-1-(4-methyl-3-nitrophenyl)triazole-4-carboxylic acid
CID 43381114
1-(3-chloro-4-nitrophenyl)-5-propyltriazol-4-amine
CID 82866156
5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine
CID 112557906
1-(4-chloro-3-nitrophenyl)-5-methyltriazole-4-carbaldehyde
CID 82197751
1-(3-methyl-4-nitrophenyl)azepane
CID 23103808
1-(1-benzothiophen-5-yl)-5-methyltriazol-4-amine
CID 79508848
5-(3-methyl-4-nitrophenyl)-1,3,4-thiadiazol-2-amine
CID 3832219
1-(4-methoxy-3-nitrophenyl)-5-methyltriazole-4-carbonitrile
CID 82197386

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine?
The IUPAC name of 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine (CID 79508197) is 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine.
What is the SMILES notation for 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine?
The canonical SMILES for 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine is Cc1cc(-n2nnc(N)c2C)ccc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine?
The InChIKey is WZOJBRQSSUNQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6-5-8(3-4-9(6)15(16)17)14-7(2)10(11)12-13-14/h3-5H,11H2,1-2H3.
What are the key properties of 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine?
5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine has a molecular weight of 233.23 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methyl-4-nitrophenyl)triazol-4-amine is sourced from PubChem (CID 79508197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).