N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine

C11H15N7O2 — CID 115991964

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCc1nn(C)cc1CNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N7O2/c1-7-8(6-17(2)16-7)5-13-11-9(18(19)20)3-4-10(14-11)15-12/h3-4,6H,5,12H2,1-2H3,(H2,13,14,15)
InChIKeyMLCTVQVGZJEALT-UHFFFAOYSA-N
MW277.29 g/mol
LogP0.93
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 115991964) has the molecular formula C11H15N7O2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID115991964
Molecular FormulaC11H15N7O2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCc1nn(C)cc1CNc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N7O2/c1-7-8(6-17(2)16-7)5-13-11-9(18(19)20)3-4-10(14-11)15-12/h3-4,6H,5,12H2,1-2H3,(H2,13,14,15)
InChIKeyMLCTVQVGZJEALT-UHFFFAOYSA-N
XLogP0.93
TPSA123.93 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

6-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 82875536
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
6-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-3-nitropyridin-2-amine
CID 80914200
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-hydrazinylpyridin-2-amine
CID 112672305
6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]-3-nitropyridin-2-amine
CID 80919528
6-hydrazinyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitropyridin-2-amine
CID 80927069
N-(3-ethyl-1-methylpyrazol-4-yl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 107465281
N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80931129
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-nitropyridine-2,6-diamine
CID 115991825
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-fluoro-4-nitroaniline
CID 83089738
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine (CID 115991964) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine is Cc1nn(C)cc1CNc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is MLCTVQVGZJEALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2/c1-7-8(6-17(2)16-7)5-13-11-9(18(19)20)3-4-10(14-11)15-12/h3-4,6H,5,12H2,1-2H3,(H2,13,14,15).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 115991964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).