1,2,3,4-tetrazacyclotridec-3-ene

C9H20N4 — CID 69042517

IUPAC1,2,3,4-tetrazacyclotridec-3-ene
SMILESC1CCCC/N=N\NNCCCC1
InChIInChI=1S/C9H20N4/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-9H2,(H,10,13)(H,11,12)
InChIKeyXXAWZNWSLBEANW-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.19
Rot. Bonds

About 1,2,3,4-tetrazacyclotridec-3-ene

1,2,3,4-tetrazacyclotridec-3-ene (PubChem CID 69042517) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1,2,3,4-tetrazacyclotridec-3-ene.

Molecular Properties

Compound Name1,2,3,4-tetrazacyclotridec-3-ene
PubChem CID69042517
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1,2,3,4-tetrazacyclotridec-3-ene
SMILESC1CCCC/N=N\NNCCCC1
InChIInChI=1S/C9H20N4/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-9H2,(H,10,13)(H,11,12)
InChIKeyXXAWZNWSLBEANW-UHFFFAOYSA-N
XLogP2.19
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrazacyclotridec-3-ene?
The IUPAC name of 1,2,3,4-tetrazacyclotridec-3-ene (CID 69042517) is 1,2,3,4-tetrazacyclotridec-3-ene.
What is the SMILES notation for 1,2,3,4-tetrazacyclotridec-3-ene?
The canonical SMILES for 1,2,3,4-tetrazacyclotridec-3-ene is C1CCCC/N=N\NNCCCC1.
What is the InChIKey of 1,2,3,4-tetrazacyclotridec-3-ene?
The InChIKey is XXAWZNWSLBEANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-9H2,(H,10,13)(H,11,12).
What are the key properties of 1,2,3,4-tetrazacyclotridec-3-ene?
1,2,3,4-tetrazacyclotridec-3-ene has a molecular weight of 184.29 g/mol, XLogP of 2.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrazacyclotridec-3-ene is sourced from PubChem (CID 69042517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).