6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine

C11H13N5O3 — CID 80919528

IUPAC6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccc(CNc2nc(NN)ccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H13N5O3/c1-7-2-3-8(19-7)6-13-11-9(16(17)18)4-5-10(14-11)15-12/h2-5H,6,12H2,1H3,(H2,13,14,15)
InChIKeyZFAUHRYNPQMDMM-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.79
Rot. Bonds5

About 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine

6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine (PubChem CID 80919528) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine
PubChem CID80919528
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccc(CNc2nc(NN)ccc2[N+](=O)[O-])o1
InChIInChI=1S/C11H13N5O3/c1-7-2-3-8(19-7)6-13-11-9(16(17)18)4-5-10(14-11)15-12/h2-5H,6,12H2,1H3,(H2,13,14,15)
InChIKeyZFAUHRYNPQMDMM-UHFFFAOYSA-N
XLogP1.79
TPSA119.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 106379036
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80931129
6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine
CID 80927069
6-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 80914200
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 115991964
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 82875536
N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80919615
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
6-hydrazinyl-N-(3-methylsulfanylpropyl)-3-nitropyridin-2-amine
CID 80912104
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine (CID 80919528) is 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine is Cc1ccc(CNc2nc(NN)ccc2[N+](=O)[O-])o1.
What is the InChIKey of 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine?
The InChIKey is ZFAUHRYNPQMDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-2-3-8(19-7)6-13-11-9(16(17)18)4-5-10(14-11)15-12/h2-5H,6,12H2,1H3,(H2,13,14,15).
What are the key properties of 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine?
6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine has a molecular weight of 263.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 80919528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).