8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen

C10H16N2 — CID 142072552

IUPAC8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen
SMILESC1=CC2CC23N=CNC3=C1.CC.[H][H]
InChIInChI=1S/C8H8N2.C2H6.H2/c1-2-6-4-8(6)7(3-1)9-5-10-8;1-2;/h1-3,5-6H,4H2,(H,9,10);1-2H3;1H
InChIKeyQIBGKWIOOKJOTC-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.10
Rot. Bonds

About 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen

8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen (PubChem CID 142072552) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen.

Molecular Properties

Compound Name8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen
PubChem CID142072552
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen
SMILESC1=CC2CC23N=CNC3=C1.CC.[H][H]
InChIInChI=1S/C8H8N2.C2H6.H2/c1-2-6-4-8(6)7(3-1)9-5-10-8;1-2;/h1-3,5-6H,4H2,(H,9,10);1-2H3;1H
InChIKeyQIBGKWIOOKJOTC-UHFFFAOYSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Molecular hydrogen;5-propan-2-yl-1,5-dihydrocyclohepta[d]imidazole
CID 145130298
5-Methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole;molecular hydrogen
CID 145305376
1,4a,5,5a-Tetrahydrocyclopropa[f]benzimidazole;ethane;molecular hydrogen
CID 145305479
1,4a,5,5a-Tetrahydrocyclopropa[f]benzimidazole
CID 145305480
1,4a,5,5a-Tetrahydrocyclopropa[f]benzimidazole;ethane
CID 166131573
8,10-Diazatricyclo[5.3.0.01,3]deca-4,6,9-triene
CID 142072553
10-Piperidin-4-yl-8,10-diazatricyclo[5.3.0.01,3]deca-4,6,8-triene
CID 142247455
5-Methyl-1,4a,5,5a-tetrahydrocyclopropa[f]benzimidazole
CID 145305377

Frequently Asked Questions

What is the IUPAC name of 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen?
The IUPAC name of 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen (CID 142072552) is 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen.
What is the SMILES notation for 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen?
The canonical SMILES for 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen is C1=CC2CC23N=CNC3=C1.CC.[H][H].
What is the InChIKey of 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen?
The InChIKey is QIBGKWIOOKJOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C2H6.H2/c1-2-6-4-8(6)7(3-1)9-5-10-8;1-2;/h1-3,5-6H,4H2,(H,9,10);1-2H3;1H.
What are the key properties of 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen?
8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen has a molecular weight of 164.25 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diazatricyclo[5.3.0.01,3]deca-4,6,9-triene;ethane;molecular hydrogen is sourced from PubChem (CID 142072552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).