6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine

C12H19N5O2 — CID 114071424

IUPAC6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine
SMILESCC1CCCC(Nc2cc([N+](=O)[O-])cc(NN)n2)C1
InChIInChI=1S/C12H19N5O2/c1-8-3-2-4-9(5-8)14-11-6-10(17(18)19)7-12(15-11)16-13/h6-9H,2-5,13H2,1H3,(H2,14,15,16)
InChIKeyXPMWAHGZRUXDJN-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.27
Rot. Bonds4

About 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine

6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine (PubChem CID 114071424) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine
PubChem CID114071424
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine
SMILESCC1CCCC(Nc2cc([N+](=O)[O-])cc(NN)n2)C1
InChIInChI=1S/C12H19N5O2/c1-8-3-2-4-9(5-8)14-11-6-10(17(18)19)7-12(15-11)16-13/h6-9H,2-5,13H2,1H3,(H2,14,15,16)
InChIKeyXPMWAHGZRUXDJN-UHFFFAOYSA-N
XLogP2.27
TPSA106.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.27
H-Bond Donors ≤ 53
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

6-hydrazinyl-N-(3-methylcyclohexyl)pyridin-2-amine
CID 80894437
6-chloro-N-(4-methylcycloheptyl)-4-nitropyridin-2-amine
CID 114101548
2-bromo-N-(3-methylcyclohexyl)-4-nitroaniline
CID 43742254
3-[(4-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 55146536
N-(3-methylcyclohexyl)-4-nitro-1,3-benzoxazol-2-amine
CID 79882624
3-[[6-(methylamino)-4-nitro-2-pyridinyl]amino]cyclobutan-1-ol
CID 114071210
2-amino-N-(3-methylcyclohexyl)-5-nitrobenzenesulfonamide
CID 62146579
4-chloro-N-(3-methylcyclohexyl)-2-nitroaniline
CID 43317145
N-(2-methylpiperidin-4-yl)-4-nitropyridin-2-amine
CID 106996198
6-hydrazinyl-N-[2-(3-methylcyclohexyl)ethyl]-3-nitropyridin-2-amine
CID 80906290
2-N-ethyl-6-N-(3-methylcyclohexyl)pyridine-2,6-diamine
CID 80782760
6-N-(3-methoxycyclobutyl)-4-nitropyridine-2,6-diamine
CID 114121084

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine (CID 114071424) is 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine is CC1CCCC(Nc2cc([N+](=O)[O-])cc(NN)n2)C1.
What is the InChIKey of 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine?
The InChIKey is XPMWAHGZRUXDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-3-2-4-9(5-8)14-11-6-10(17(18)19)7-12(15-11)16-13/h6-9H,2-5,13H2,1H3,(H2,14,15,16).
What are the key properties of 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine?
6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methylcyclohexyl)-4-nitropyridin-2-amine is sourced from PubChem (CID 114071424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).