2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

C12H19N5O3 — CID 80915820

IUPAC2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESNNc1ccc([N+](=O)[O-])c(NCC2CCCCC2O)n1
InChIInChI=1S/C12H19N5O3/c13-16-11-6-5-9(17(19)20)12(15-11)14-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7,13H2,(H2,14,15,16)
InChIKeyXVARDNFQUSSKAX-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.24
Rot. Bonds5

About 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol

2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 80915820) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID80915820
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESNNc1ccc([N+](=O)[O-])c(NCC2CCCCC2O)n1
InChIInChI=1S/C12H19N5O3/c13-16-11-6-5-9(17(19)20)12(15-11)14-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7,13H2,(H2,14,15,16)
InChIKeyXVARDNFQUSSKAX-UHFFFAOYSA-N
XLogP1.24
TPSA126.34 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.24
H-Bond Donors ≤ 54
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-[(1,1-dioxothiolan-2-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 81046261
1-cyclopropyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanol
CID 80913877
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
N-[(1-ethylpiperidin-4-yl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80901669
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
2-N-(cyclopentylmethyl)-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80783377
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80925737
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-3-nitropyridin-2-amine
CID 80906290
N-(2,2-dimethylbutyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 103466734
1-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 80916085

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 80915820) is 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is NNc1ccc([N+](=O)[O-])c(NCC2CCCCC2O)n1.
What is the InChIKey of 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XVARDNFQUSSKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c13-16-11-6-5-9(17(19)20)12(15-11)14-7-8-3-1-2-4-10(8)18/h5-6,8,10,18H,1-4,7,13H2,(H2,14,15,16).
What are the key properties of 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol?
2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 281.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 80915820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).