1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine

C12H18N2 — CID 53438523

IUPAC1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine
SMILESC1=C2N=C3CCCCC3NC2CCC1
InChIInChI=1S/C12H18N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h5,10,12,14H,1-4,6-8H2
InChIKeyOSKXXXKQSBKDLR-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.41
Rot. Bonds

About 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine

1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine (PubChem CID 53438523) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine.

Molecular Properties

Compound Name1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine
PubChem CID53438523
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine
SMILESC1=C2N=C3CCCCC3NC2CCC1
InChIInChI=1S/C12H18N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h5,10,12,14H,1-4,6-8H2
InChIKeyOSKXXXKQSBKDLR-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine?
The IUPAC name of 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine (CID 53438523) is 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine.
What is the SMILES notation for 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine?
The canonical SMILES for 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine is C1=C2N=C3CCCCC3NC2CCC1.
What is the InChIKey of 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine?
The InChIKey is OSKXXXKQSBKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h5,10,12,14H,1-4,6-8H2.
What are the key properties of 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine?
1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine has a molecular weight of 190.29 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,5a,6,7,8-decahydrophenazine is sourced from PubChem (CID 53438523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).