1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene

C10H10N4 — CID 176541059

IUPAC1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene
SMILESC1=CN2C(=NC1)C=CC1=CNCN=C12
InChIInChI=1S/C10H10N4/c1-4-12-9-3-2-8-6-11-7-13-10(8)14(9)5-1/h1-3,5-6,11H,4,7H2
InChIKeyVXHNUAKCONBJMS-UHFFFAOYSA-N
MW186.22 g/mol
LogP0.63
Rot. Bonds

About 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene

1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene (PubChem CID 176541059) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene.

Molecular Properties

Compound Name1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene
PubChem CID176541059
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene
SMILESC1=CN2C(=NC1)C=CC1=CNCN=C12
InChIInChI=1S/C10H10N4/c1-4-12-9-3-2-8-6-11-7-13-10(8)14(9)5-1/h1-3,5-6,11H,4,7H2
InChIKeyVXHNUAKCONBJMS-UHFFFAOYSA-N
XLogP0.63
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene?
The IUPAC name of 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene (CID 176541059) is 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene.
What is the SMILES notation for 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene?
The canonical SMILES for 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene is C1=CN2C(=NC1)C=CC1=CNCN=C12.
What is the InChIKey of 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene?
The InChIKey is VXHNUAKCONBJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-4-12-9-3-2-8-6-11-7-13-10(8)14(9)5-1/h1-3,5-6,11H,4,7H2.
What are the key properties of 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene?
1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene has a molecular weight of 186.22 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,11-tetrazatricyclo[8.4.0.02,7]tetradeca-2,6,8,10,13-pentaene is sourced from PubChem (CID 176541059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).