2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C12H22N6O2 — CID 80897107

IUPAC2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H22N6O2/c1-8(2)9(7-17(3)4)14-12-10(18(19)20)5-6-11(15-12)16-13/h5-6,8-9H,7,13H2,1-4H3,(H2,14,15,16)
InChIKeyFGMAEHCKZYOZQO-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.27
Rot. Bonds7

About 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 80897107) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID80897107
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CN(C)C)Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H22N6O2/c1-8(2)9(7-17(3)4)14-12-10(18(19)20)5-6-11(15-12)16-13/h5-6,8-9H,7,13H2,1-4H3,(H2,14,15,16)
InChIKeyFGMAEHCKZYOZQO-UHFFFAOYSA-N
XLogP1.27
TPSA109.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.27
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

6-hydrazinyl-N-(4-methylhexan-2-yl)-3-nitropyridin-2-amine
CID 80924578
N-ethyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propanamide
CID 80898006
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
(2S)-2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 80848436
6-hydrazinyl-3-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 80904081
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106198965
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80901597
6-methyl-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 81138251
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
2-N-(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 80995334

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 80897107) is 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CC(C)C(CN(C)C)Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is FGMAEHCKZYOZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-8(2)9(7-17(3)4)14-12-10(18(19)20)5-6-11(15-12)16-13/h5-6,8-9H,7,13H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 282.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-hydrazinyl-3-nitro-2-pyridinyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 80897107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).