1,2,3,4-tetrahydrophenazin-1-yl acetate

C14H14N2O2 — CID 117066647

IUPAC1,2,3,4-tetrahydrophenazin-1-yl acetate
SMILESCC(=O)OC1CCCc2nc3ccccc3nc21
InChIInChI=1S/C14H14N2O2/c1-9(17)18-13-8-4-7-12-14(13)16-11-6-3-2-5-10(11)15-12/h2-3,5-6,13H,4,7-8H2,1H3
InChIKeyUNNACXNGRXPBCE-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.57
Rot. Bonds1

About 1,2,3,4-tetrahydrophenazin-1-yl acetate

1,2,3,4-tetrahydrophenazin-1-yl acetate (PubChem CID 117066647) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrophenazin-1-yl acetate.

Molecular Properties

Compound Name1,2,3,4-tetrahydrophenazin-1-yl acetate
PubChem CID117066647
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1,2,3,4-tetrahydrophenazin-1-yl acetate
SMILESCC(=O)OC1CCCc2nc3ccccc3nc21
InChIInChI=1S/C14H14N2O2/c1-9(17)18-13-8-4-7-12-14(13)16-11-6-3-2-5-10(11)15-12/h2-3,5-6,13H,4,7-8H2,1H3
InChIKeyUNNACXNGRXPBCE-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrophenazin-1-yl acetate?
The IUPAC name of 1,2,3,4-tetrahydrophenazin-1-yl acetate (CID 117066647) is 1,2,3,4-tetrahydrophenazin-1-yl acetate.
What is the SMILES notation for 1,2,3,4-tetrahydrophenazin-1-yl acetate?
The canonical SMILES for 1,2,3,4-tetrahydrophenazin-1-yl acetate is CC(=O)OC1CCCc2nc3ccccc3nc21.
What is the InChIKey of 1,2,3,4-tetrahydrophenazin-1-yl acetate?
The InChIKey is UNNACXNGRXPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(17)18-13-8-4-7-12-14(13)16-11-6-3-2-5-10(11)15-12/h2-3,5-6,13H,4,7-8H2,1H3.
What are the key properties of 1,2,3,4-tetrahydrophenazin-1-yl acetate?
1,2,3,4-tetrahydrophenazin-1-yl acetate has a molecular weight of 242.28 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrophenazin-1-yl acetate is sourced from PubChem (CID 117066647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).