1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene

C10H11N3 — CID 170340844

IUPAC1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene
SMILESc1cccccn[nH]ncccc1
InChIInChI=1S/C10H11N3/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-10,13H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-
InChIKeyFVKFSADVIXVIBG-UYSRQXPTSA-N
MW173.22 g/mol
LogP2.05
Rot. Bonds

About 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene

1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene (PubChem CID 170340844) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene.

Molecular Properties

Compound Name1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene
PubChem CID170340844
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene
SMILESc1cccccn[nH]ncccc1
InChIInChI=1S/C10H11N3/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-10,13H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-
InChIKeyFVKFSADVIXVIBG-UYSRQXPTSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene?
The IUPAC name of 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene (CID 170340844) is 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene.
What is the SMILES notation for 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene?
The canonical SMILES for 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene is c1cccccn[nH]ncccc1.
What is the InChIKey of 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene?
The InChIKey is FVKFSADVIXVIBG-UYSRQXPTSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-10,13H/b3-1-,4-2-,7-5-,8-6-,11-9-,12-10-.
What are the key properties of 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene?
1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene has a molecular weight of 173.22 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triazacyclotrideca-3,5,7,9,11,13-hexaene is sourced from PubChem (CID 170340844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).