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

C11H13N5O2S — CID 80927069

IUPAC6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccsc1CNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2S/c1-7-4-5-19-9(7)6-13-11-8(16(17)18)2-3-10(14-11)15-12/h2-5H,6,12H2,1H3,(H2,13,14,15)
InChIKeyFZPXYMISIBNIDZ-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.26
Rot. Bonds5

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

6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine (PubChem CID 80927069) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine
PubChem CID80927069
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC Name6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccsc1CNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H13N5O2S/c1-7-4-5-19-9(7)6-13-11-8(16(17)18)2-3-10(14-11)15-12/h2-5H,6,12H2,1H3,(H2,13,14,15)
InChIKeyFZPXYMISIBNIDZ-UHFFFAOYSA-N
XLogP2.26
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.26
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-dimethylthiophen-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80931129
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine
CID 80919528
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 106379036
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
6-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 80914200
methyl 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanoate
CID 80899106
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

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine (CID 80927069) is 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine is Cc1ccsc1CNc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine?
The InChIKey is FZPXYMISIBNIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-7-4-5-19-9(7)6-13-11-8(16(17)18)2-3-10(14-11)15-12/h2-5H,6,12H2,1H3,(H2,13,14,15).
What are the key properties of 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine?
6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine has a molecular weight of 279.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 80927069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).