4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium

C7H11N4ORe- — CID 153405151

IUPAC4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
SMILESCCN1CCn2c(n[n-]c2=O)C1.[Re]
InChIInChI=1S/C7H12N4O.Re/c1-2-10-3-4-11-6(5-10)8-9-7(11)12;/h2-5H2,1H3,(H,9,12);/p-1
InChIKeyWWOPDDISOBNEKL-UHFFFAOYSA-M
MW353.40 g/mol
LogP-0.97
Rot. Bonds1

About 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium

4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium (PubChem CID 153405151) has the molecular formula C7H11N4ORe- and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium.

Molecular Properties

Compound Name4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
PubChem CID153405151
Molecular FormulaC7H11N4ORe-
Molecular Weight353.40 g/mol
Exact Mass354.05
IUPAC Name4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
SMILESCCN1CCn2c(n[n-]c2=O)C1.[Re]
InChIInChI=1S/C7H12N4O.Re/c1-2-10-3-4-11-6(5-10)8-9-7(11)12;/h2-5H2,1H3,(H,9,12);/p-1
InChIKeyWWOPDDISOBNEKL-UHFFFAOYSA-M
XLogP-0.97
TPSA52.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2H,3H,5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]piperazin-3-one
CID 66274045
2-methyl-2H,3H,5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazin-3-one hydrochloride
CID 132344533
7-(2-Fluoroethyl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 130619221
7-Methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 89936292
7-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ol
CID 130613912
2,7-dimethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 130623014
ethane;5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 143847965
2-methyl-7-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 147018723
7-methyl-2-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 148633432
Ethane;4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
CID 153601290
2-ethyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 163429318
4-Propan-2-yl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium
CID 166168023

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium?
The IUPAC name of 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium (CID 153405151) is 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium.
What is the SMILES notation for 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium?
The canonical SMILES for 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium is CCN1CCn2c(n[n-]c2=O)C1.[Re].
What is the InChIKey of 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium?
The InChIKey is WWOPDDISOBNEKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12N4O.Re/c1-2-10-3-4-11-6(5-10)8-9-7(11)12;/h2-5H2,1H3,(H,9,12);/p-1.
What are the key properties of 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium?
4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium has a molecular weight of 353.40 g/mol, XLogP of -0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,4,7-triaza-8-azanidabicyclo[4.3.0]non-6-en-9-one;rhenium is sourced from PubChem (CID 153405151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).