(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride

C5H9Cl2N3O3 — CID 132585338

IUPAC(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
SMILESCl.Cl.NNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H7N3O3.2ClH/c6-7-3-4-1-2-5(11-4)8(9)10;;/h1-2,7H,3,6H2;2*1H
InChIKeyZJGXPJIBJRJORW-UHFFFAOYSA-N
MW230.05 g/mol
LogP0.99
Rot. Bonds3

About (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride

(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride (PubChem CID 132585338) has the molecular formula C5H9Cl2N3O3 and a molecular weight of 230.05 g/mol. Its IUPAC name is (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride.

Molecular Properties

Compound Name(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
PubChem CID132585338
Molecular FormulaC5H9Cl2N3O3
Molecular Weight230.05 g/mol
Exact Mass229.00
IUPAC Name(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride
SMILESCl.Cl.NNCc1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H7N3O3.2ClH/c6-7-3-4-1-2-5(11-4)8(9)10;;/h1-2,7H,3,6H2;2*1H
InChIKeyZJGXPJIBJRJORW-UHFFFAOYSA-N
XLogP0.99
TPSA94.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-methyl-1-(5-nitrofuran-2-yl)methanamine
CID 43754874
(5-nitrofuran-2-yl)methanamine
CID 13211642
O-[(5-nitrofuran-2-yl)methyl]hydroxylamine
CID 79427799
4-ethyl-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43764272
N-[(5-nitrofuran-2-yl)methyl]prop-2-en-1-amine
CID 43755376
bis[(5-nitrofuran-2-yl)methyl] carbonate
CID 175203098
2,4-difluoro-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 43763852
3-methyl-N-[(5-nitrofuran-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904590
6-bromo-N-[(5-nitrofuran-2-yl)methyl]naphthalen-2-amine
CID 81266383
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
5-nitro-2-[(5-nitrofuran-2-yl)methylamino]benzonitrile
CID 43790290
ethyl 2-[(5-nitrofuran-2-yl)methylamino]acetate
CID 60811614

Frequently Asked Questions

What is the IUPAC name of (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride?
The IUPAC name of (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride (CID 132585338) is (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride.
What is the SMILES notation for (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride?
The canonical SMILES for (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride is Cl.Cl.NNCc1ccc([N+](=O)[O-])o1.
What is the InChIKey of (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride?
The InChIKey is ZJGXPJIBJRJORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3.2ClH/c6-7-3-4-1-2-5(11-4)8(9)10;;/h1-2,7H,3,6H2;2*1H.
What are the key properties of (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride?
(5-nitrofuran-2-yl)methylhydrazine;dihydrochloride has a molecular weight of 230.05 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitrofuran-2-yl)methylhydrazine;dihydrochloride is sourced from PubChem (CID 132585338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).