1,2,3,4,4a,6,9,9a-octahydrophenazine

C12H16N2 — CID 57006458

IUPAC1,2,3,4,4a,6,9,9a-octahydrophenazine
SMILESC1=CCC2N=C3CCCCC3N=C2C1
InChIInChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-2,9,12H,3-8H2
InChIKeyHVKUNLNZVTXROA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.54
Rot. Bonds

About 1,2,3,4,4a,6,9,9a-octahydrophenazine

1,2,3,4,4a,6,9,9a-octahydrophenazine (PubChem CID 57006458) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,4,4a,6,9,9a-octahydrophenazine.

Molecular Properties

Compound Name1,2,3,4,4a,6,9,9a-octahydrophenazine
PubChem CID57006458
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,4,4a,6,9,9a-octahydrophenazine
SMILESC1=CCC2N=C3CCCCC3N=C2C1
InChIInChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-2,9,12H,3-8H2
InChIKeyHVKUNLNZVTXROA-UHFFFAOYSA-N
XLogP2.54
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-cyclohexyl-4-diazocyclohex-2-en-1-imine
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N-cyclohexylcyclohex-2-en-1-imine
CID 66728093
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CID 67877650
2,3,4,4a-Tetrahydro-1,5-naphthyridine
CID 68052703
2,4a,7,8-Tetrahydro-1,5-naphthyridine
CID 91263735
(4aS,8aR)-2-ethyl-3-[(Z)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydroquinoxaline
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1-N-cyclohexyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine
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CID 101419683

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,6,9,9a-octahydrophenazine?
The IUPAC name of 1,2,3,4,4a,6,9,9a-octahydrophenazine (CID 57006458) is 1,2,3,4,4a,6,9,9a-octahydrophenazine.
What is the SMILES notation for 1,2,3,4,4a,6,9,9a-octahydrophenazine?
The canonical SMILES for 1,2,3,4,4a,6,9,9a-octahydrophenazine is C1=CCC2N=C3CCCCC3N=C2C1.
What is the InChIKey of 1,2,3,4,4a,6,9,9a-octahydrophenazine?
The InChIKey is HVKUNLNZVTXROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-2,9,12H,3-8H2.
What are the key properties of 1,2,3,4,4a,6,9,9a-octahydrophenazine?
1,2,3,4,4a,6,9,9a-octahydrophenazine has a molecular weight of 188.27 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,6,9,9a-octahydrophenazine is sourced from PubChem (CID 57006458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).