ethane-1,2-diamine;3-nitropyridine

C7H12N4O2 — CID 142993055

IUPACethane-1,2-diamine;3-nitropyridine
SMILESNCCN.O=[N+]([O-])c1cccnc1
InChIInChI=1S/C5H4N2O2.C2H8N2/c8-7(9)5-2-1-3-6-4-5;3-1-2-4/h1-4H;1-4H2
InChIKeyLXGGVMSQHVAIHI-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.11
Rot. Bonds2

About ethane-1,2-diamine;3-nitropyridine

ethane-1,2-diamine;3-nitropyridine (PubChem CID 142993055) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is ethane-1,2-diamine;3-nitropyridine.

Molecular Properties

Compound Nameethane-1,2-diamine;3-nitropyridine
PubChem CID142993055
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Nameethane-1,2-diamine;3-nitropyridine
SMILESNCCN.O=[N+]([O-])c1cccnc1
InChIInChI=1S/C5H4N2O2.C2H8N2/c8-7(9)5-2-1-3-6-4-5;3-1-2-4/h1-4H;1-4H2
InChIKeyLXGGVMSQHVAIHI-UHFFFAOYSA-N
XLogP-0.11
TPSA108.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;3-nitropyridine?
The IUPAC name of ethane-1,2-diamine;3-nitropyridine (CID 142993055) is ethane-1,2-diamine;3-nitropyridine.
What is the SMILES notation for ethane-1,2-diamine;3-nitropyridine?
The canonical SMILES for ethane-1,2-diamine;3-nitropyridine is NCCN.O=[N+]([O-])c1cccnc1.
What is the InChIKey of ethane-1,2-diamine;3-nitropyridine?
The InChIKey is LXGGVMSQHVAIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2.C2H8N2/c8-7(9)5-2-1-3-6-4-5;3-1-2-4/h1-4H;1-4H2.
What are the key properties of ethane-1,2-diamine;3-nitropyridine?
ethane-1,2-diamine;3-nitropyridine has a molecular weight of 184.20 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;3-nitropyridine is sourced from PubChem (CID 142993055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).