N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine

C13H23N5O2 — CID 80916699

IUPACN,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCCCCN(CCCC)c1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O2/c1-3-5-9-17(10-6-4-2)13-11(18(19)20)7-8-12(15-13)16-14/h7-8H,3-6,9-10,14H2,1-2H3,(H,15,16)
InChIKeyHSBXCBWEGYLLOV-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.68
Rot. Bonds9

About N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine

N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine (PubChem CID 80916699) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
PubChem CID80916699
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine
SMILESCCCCN(CCCC)c1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H23N5O2/c1-3-5-9-17(10-6-4-2)13-11(18(19)20)7-8-12(15-13)16-14/h7-8H,3-6,9-10,14H2,1-2H3,(H,15,16)
InChIKeyHSBXCBWEGYLLOV-UHFFFAOYSA-N
XLogP2.68
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
2-[butyl-[6-(ethylamino)-3-nitro-2-pyridinyl]amino]acetamide
CID 80788637
2-[butyl-(6-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 81136682
6-hydrazinyl-N-methyl-N-(2-methylsulfonylethyl)-3-nitropyridin-2-amine
CID 80929654
2-N-[2-(dimethylamino)ethyl]-6-N-ethyl-3-nitro-2-N-propylpyridine-2,6-diamine
CID 80796707
2-[[3-nitro-6-(propylamino)-2-pyridinyl]-propylamino]ethanol
CID 80795713
methyl 6-[butyl(2-hydroxyethyl)amino]-5-nitropyridine-2-carboxylate
CID 114403802
6-N-ethyl-2-N-methyl-3-nitro-2-N-pentylpyridine-2,6-diamine
CID 80782981
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 80894166
2-N-butan-2-yl-2-N-butyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80788368
6-hydrazinyl-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80902169
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine?
The IUPAC name of N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine (CID 80916699) is N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine.
What is the SMILES notation for N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine?
The canonical SMILES for N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine is CCCCN(CCCC)c1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine?
The InChIKey is HSBXCBWEGYLLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-5-9-17(10-6-4-2)13-11(18(19)20)7-8-12(15-13)16-14/h7-8H,3-6,9-10,14H2,1-2H3,(H,15,16).
What are the key properties of N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine?
N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-6-hydrazinyl-3-nitropyridin-2-amine is sourced from PubChem (CID 80916699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).