(2,4,6-trimethyl-3-nitrophenyl)hydrazine

C9H13N3O2 — CID 21431975

IUPAC(2,4,6-trimethyl-3-nitrophenyl)hydrazine
SMILESCc1cc(C)c([N+](=O)[O-])c(C)c1NN
InChIInChI=1S/C9H13N3O2/c1-5-4-6(2)9(12(13)14)7(3)8(5)11-10/h4,11H,10H2,1-3H3
InChIKeyHPFKEYZIQOVAEL-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.81
Rot. Bonds2

About (2,4,6-trimethyl-3-nitrophenyl)hydrazine

(2,4,6-trimethyl-3-nitrophenyl)hydrazine (PubChem CID 21431975) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2,4,6-trimethyl-3-nitrophenyl)hydrazine.

Molecular Properties

Compound Name(2,4,6-trimethyl-3-nitrophenyl)hydrazine
PubChem CID21431975
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(2,4,6-trimethyl-3-nitrophenyl)hydrazine
SMILESCc1cc(C)c([N+](=O)[O-])c(C)c1NN
InChIInChI=1S/C9H13N3O2/c1-5-4-6(2)9(12(13)14)7(3)8(5)11-10/h4,11H,10H2,1-3H3
InChIKeyHPFKEYZIQOVAEL-UHFFFAOYSA-N
XLogP1.81
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-Nitroaniline
CID 7444
4-Methyl-3-nitroaniline
CID 8390
2-Nitromesitylene
CID 69051
2,4,6-Trimethyl-3,5-dinitrophenylamine
CID 2306948
2,4,6-Trinitro-m-xylene
CID 69442
m-Xylene, 4,6-dinitro-
CID 12029
1,3,5-Trimethyl-2,4,6-trinitrobenzene
CID 11771
2,6-Diamino-4-nitrotoluene
CID 91671
2,4-Diamino-6-nitrotoluene
CID 96177
2-Ethyl-5-nitroaniline
CID 4155478
3-Nitro-2,6-xylidine
CID 95945
2,4-Dimethyl-5-nitroaniline
CID 228007

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethyl-3-nitrophenyl)hydrazine?
The IUPAC name of (2,4,6-trimethyl-3-nitrophenyl)hydrazine (CID 21431975) is (2,4,6-trimethyl-3-nitrophenyl)hydrazine.
What is the SMILES notation for (2,4,6-trimethyl-3-nitrophenyl)hydrazine?
The canonical SMILES for (2,4,6-trimethyl-3-nitrophenyl)hydrazine is Cc1cc(C)c([N+](=O)[O-])c(C)c1NN.
What is the InChIKey of (2,4,6-trimethyl-3-nitrophenyl)hydrazine?
The InChIKey is HPFKEYZIQOVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-4-6(2)9(12(13)14)7(3)8(5)11-10/h4,11H,10H2,1-3H3.
What are the key properties of (2,4,6-trimethyl-3-nitrophenyl)hydrazine?
(2,4,6-trimethyl-3-nitrophenyl)hydrazine has a molecular weight of 195.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethyl-3-nitrophenyl)hydrazine is sourced from PubChem (CID 21431975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).