1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine

C11H21N5O2 — CID 174341983

IUPAC1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine
SMILESCC1CC2CC2(C)C1.NC1=NN([N+](=O)[O-])NCC1
InChIInChI=1S/C8H14.C3H7N5O2/c1-6-3-7-5-8(7,2)4-6;4-3-1-2-5-7(6-3)8(9)10/h6-7H,3-5H2,1-2H3;5H,1-2H2,(H2,4,6)
InChIKeyQXTFUIMEMOWTBB-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.10
Rot. Bonds1

About 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine

1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine (PubChem CID 174341983) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine.

Molecular Properties

Compound Name1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine
PubChem CID174341983
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine
SMILESCC1CC2CC2(C)C1.NC1=NN([N+](=O)[O-])NCC1
InChIInChI=1S/C8H14.C3H7N5O2/c1-6-3-7-5-8(7,2)4-6;4-3-1-2-5-7(6-3)8(9)10/h6-7H,3-5H2,1-2H3;5H,1-2H2,(H2,4,6)
InChIKeyQXTFUIMEMOWTBB-UHFFFAOYSA-N
XLogP1.10
TPSA96.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine?
The IUPAC name of 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine (CID 174341983) is 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine.
What is the SMILES notation for 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine?
The canonical SMILES for 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine is CC1CC2CC2(C)C1.NC1=NN([N+](=O)[O-])NCC1.
What is the InChIKey of 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine?
The InChIKey is QXTFUIMEMOWTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C3H7N5O2/c1-6-3-7-5-8(7,2)4-6;4-3-1-2-5-7(6-3)8(9)10/h6-7H,3-5H2,1-2H3;5H,1-2H2,(H2,4,6).
What are the key properties of 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine?
1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbicyclo[3.1.0]hexane;2-nitro-5,6-dihydro-1H-triazin-4-amine is sourced from PubChem (CID 174341983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).