[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine

C14H21N5O2 — CID 102729208

IUPAC[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])c(N2CCC[C@H]3CCCC[C@H]32)n1
InChIInChI=1S/C14H21N5O2/c15-17-13-8-7-12(19(20)21)14(16-13)18-9-3-5-10-4-1-2-6-11(10)18/h7-8,10-11H,1-6,9,15H2,(H,16,17)/t10-,11-/m1/s1
InChIKeyPECMEPBAUWCXOY-GHMZBOCLSA-N
MW291.35 g/mol
LogP2.43
Rot. Bonds3

About [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine

[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine (PubChem CID 102729208) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
PubChem CID102729208
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])c(N2CCC[C@H]3CCCC[C@H]32)n1
InChIInChI=1S/C14H21N5O2/c15-17-13-8-7-12(19(20)21)14(16-13)18-9-3-5-10-4-1-2-6-11(10)18/h7-8,10-11H,1-6,9,15H2,(H,16,17)/t10-,11-/m1/s1
InChIKeyPECMEPBAUWCXOY-GHMZBOCLSA-N
XLogP2.43
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine (CID 102729208) is [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine is NNc1ccc([N+](=O)[O-])c(N2CCC[C@H]3CCCC[C@H]32)n1.
What is the InChIKey of [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine?
The InChIKey is PECMEPBAUWCXOY-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H21N5O2/c15-17-13-8-7-12(19(20)21)14(16-13)18-9-3-5-10-4-1-2-6-11(10)18/h7-8,10-11H,1-6,9,15H2,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine?
[6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine has a molecular weight of 291.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-nitro-2-pyridinyl]hydrazine is sourced from PubChem (CID 102729208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).