ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

C9H11N3 — CID 142933409

IUPACethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESC1=CC=Cc2ncnn2C=1.CC
InChIInChI=1S/C7H5N3.C2H6/c1-2-4-7-8-6-9-10(7)5-3-1;1-2/h1-2,4-6H;1-2H3
InChIKeyBWQVWSMYPVTTKS-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.96
Rot. Bonds

About ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene

ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (PubChem CID 142933409) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.

Molecular Properties

Compound Nameethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
PubChem CID142933409
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Nameethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene
SMILESC1=CC=Cc2ncnn2C=1.CC
InChIInChI=1S/C7H5N3.C2H6/c1-2-4-7-8-6-9-10(7)5-3-1;1-2/h1-2,4-6H;1-2H3
InChIKeyBWQVWSMYPVTTKS-UHFFFAOYSA-N
XLogP1.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Fluoro-7-methyl-[1,2,4]triazolo[1,5-a]azepine
CID 130428247
lithium 5H-[1,2,4]triazolo[1,5-a]pyridin-5-ide
CID 134971062
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
9H-[1,2,4]triazolo[1,5-a]azepine
CID 57200916
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
Lithium 5-methyl-1-phenyl-1,2,4-triazole
CID 58162954
CID 59806643
CID 59806643
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
5H-[1,2,4]triazolo[1,5-c][3]benzazepine
CID 88439719
5-ethenyl-1-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-1,2,4-triazole
CID 88558971
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220

Frequently Asked Questions

What is the IUPAC name of ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The IUPAC name of ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene (CID 142933409) is ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene.
What is the SMILES notation for ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The canonical SMILES for ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is C1=CC=Cc2ncnn2C=1.CC.
What is the InChIKey of ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
The InChIKey is BWQVWSMYPVTTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3.C2H6/c1-2-4-7-8-6-9-10(7)5-3-1;1-2/h1-2,4-6H;1-2H3.
What are the key properties of ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene?
ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene has a molecular weight of 161.21 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,8,10-triazabicyclo[5.3.0]deca-2,3,5,7,9-pentaene is sourced from PubChem (CID 142933409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).