6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine

C11H17N5O2S — CID 114122174

IUPAC6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine
SMILESCSC1CCCC1Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O2S/c1-19-9-4-2-3-7(9)13-11-8(16(17)18)5-6-10(14-11)15-12/h5-7,9H,2-4,12H2,1H3,(H2,13,14,15)
InChIKeyTWOQBYFKLFEUHM-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.97
Rot. Bonds5

About 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine

6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine (PubChem CID 114122174) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine
PubChem CID114122174
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine
SMILESCSC1CCCC1Nc1nc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O2S/c1-19-9-4-2-3-7(9)13-11-8(16(17)18)5-6-10(14-11)15-12/h5-7,9H,2-4,12H2,1H3,(H2,13,14,15)
InChIKeyTWOQBYFKLFEUHM-UHFFFAOYSA-N
XLogP1.97
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.97
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-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
CID 80827369
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114542334
4-N-(2-methylsulfanylcyclopentyl)-5-nitropyrimidine-4,6-diamine
CID 114122156
2-cyclopropyl-6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 114122180
5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 80915009
4-chloro-N-(2-methylsulfanylcyclopentyl)-2-nitroaniline
CID 103703976
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567
4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine
CID 103718501
4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 106198856
3-bromo-N-(2-methylsulfanylcyclopentyl)-5-nitropyridin-4-amine
CID 114121837
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-3-nitropyridin-2-amine
CID 80906290

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine (CID 114122174) is 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine is CSC1CCCC1Nc1nc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine?
The InChIKey is TWOQBYFKLFEUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-19-9-4-2-3-7(9)13-11-8(16(17)18)5-6-10(14-11)15-12/h5-7,9H,2-4,12H2,1H3,(H2,13,14,15).
What are the key properties of 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine?
6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine has a molecular weight of 283.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 114122174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).