1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine

C11H12N6O2 — CID 139086961

IUPAC1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine
SMILESCn1ccn(C)c1=N/N=N/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H12N6O2/c1-15-6-7-16(2)11(15)13-14-12-9-4-3-5-10(8-9)17(18)19/h3-8H,1-2H3/b14-12+
InChIKeyQLDXXUGHDBXHRN-WYMLVPIESA-N
MW260.26 g/mol
LogP1.87
Rot. Bonds3

About 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine

1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine (PubChem CID 139086961) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine
PubChem CID139086961
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine
SMILESCn1ccn(C)c1=N/N=N/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H12N6O2/c1-15-6-7-16(2)11(15)13-14-12-9-4-3-5-10(8-9)17(18)19/h3-8H,1-2H3/b14-12+
InChIKeyQLDXXUGHDBXHRN-WYMLVPIESA-N
XLogP1.87
TPSA90.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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

bis(3-nitrophenyl)diazene
CID 10858607
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CID 4008195
1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
CID 71327652
N-[(4-nitrophenyl)diazenyl]-1,3-bis(2,4,6-trimethylphenyl)imidazol-2-imine
CID 50916759
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2-N-(3-nitrophenyl)-3-N-oxidobutane-2,3-diimine
CID 71664215
1-[(2S)-3-methyl-2-[(3-nitrophenyl)diazenyl]azirin-2-yl]ethanone
CID 124527897
[2-methyl-1-[3-[(3-nitrophenyl)diazenyl]phenyl]propan-2-yl]carbamic acid
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CID 174796132

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine?
The IUPAC name of 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine (CID 139086961) is 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine.
What is the SMILES notation for 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine?
The canonical SMILES for 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine is Cn1ccn(C)c1=N/N=N/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine?
The InChIKey is QLDXXUGHDBXHRN-WYMLVPIESA-N. The full InChI is InChI=1S/C11H12N6O2/c1-15-6-7-16(2)11(15)13-14-12-9-4-3-5-10(8-9)17(18)19/h3-8H,1-2H3/b14-12+.
What are the key properties of 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine?
1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine has a molecular weight of 260.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(3-nitrophenyl)diazenyl]imidazol-2-imine is sourced from PubChem (CID 139086961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).