1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine

C10H14N4 — CID 136923961

IUPAC1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine
SMILES[H]/N=c1\c2c(nc3n1CCCN3)CCC2
InChIInChI=1S/C10H14N4/c11-9-7-3-1-4-8(7)13-10-12-5-2-6-14(9)10/h11H,1-6H2,(H,12,13)/b11-9+
InChIKeyFARNKLNIUWYKQO-PKNBQFBNSA-N
MW190.25 g/mol
LogP0.67
Rot. Bonds

About 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine

1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine (PubChem CID 136923961) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine.

Molecular Properties

Compound Name1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine
PubChem CID136923961
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine
SMILES[H]/N=c1\c2c(nc3n1CCCN3)CCC2
InChIInChI=1S/C10H14N4/c11-9-7-3-1-4-8(7)13-10-12-5-2-6-14(9)10/h11H,1-6H2,(H,12,13)/b11-9+
InChIKeyFARNKLNIUWYKQO-PKNBQFBNSA-N
XLogP0.67
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine?
The IUPAC name of 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine (CID 136923961) is 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine.
What is the SMILES notation for 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine?
The canonical SMILES for 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine is [H]/N=c1\c2c(nc3n1CCCN3)CCC2.
What is the InChIKey of 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine?
The InChIKey is FARNKLNIUWYKQO-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H14N4/c11-9-7-3-1-4-8(7)13-10-12-5-2-6-14(9)10/h11H,1-6H2,(H,12,13)/b11-9+.
What are the key properties of 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine?
1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine has a molecular weight of 190.25 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,10-triazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-imine is sourced from PubChem (CID 136923961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).