1,5,9-triazacyclododec-9-ene

C9H19N3 — CID 69276932

IUPAC1,5,9-triazacyclododec-9-ene
SMILESC1=N\CCCNCCCNCC/1
InChIInChI=1S/C9H19N3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h4,11-12H,1-3,5-9H2/b10-4-
InChIKeyDZQNHNNOBZXRSR-WMZJFQQLSA-N
MW169.27 g/mol
LogP0.42
Rot. Bonds

About 1,5,9-triazacyclododec-9-ene

1,5,9-triazacyclododec-9-ene (PubChem CID 69276932) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,5,9-triazacyclododec-9-ene.

Molecular Properties

Compound Name1,5,9-triazacyclododec-9-ene
PubChem CID69276932
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1,5,9-triazacyclododec-9-ene
SMILESC1=N\CCCNCCCNCC/1
InChIInChI=1S/C9H19N3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h4,11-12H,1-3,5-9H2/b10-4-
InChIKeyDZQNHNNOBZXRSR-WMZJFQQLSA-N
XLogP0.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,5,9-triazacyclododec-9-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5,9-triazacyclododec-9-ene?
The IUPAC name of 1,5,9-triazacyclododec-9-ene (CID 69276932) is 1,5,9-triazacyclododec-9-ene.
What is the SMILES notation for 1,5,9-triazacyclododec-9-ene?
The canonical SMILES for 1,5,9-triazacyclododec-9-ene is C1=N\CCCNCCCNCC/1.
What is the InChIKey of 1,5,9-triazacyclododec-9-ene?
The InChIKey is DZQNHNNOBZXRSR-WMZJFQQLSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-10-6-2-8-12-9-3-7-11-5-1/h4,11-12H,1-3,5-9H2/b10-4-.
What are the key properties of 1,5,9-triazacyclododec-9-ene?
1,5,9-triazacyclododec-9-ene has a molecular weight of 169.27 g/mol, XLogP of 0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-triazacyclododec-9-ene is sourced from PubChem (CID 69276932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).