(1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene

C8H13N3 — CID 68503863

IUPAC(1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene
SMILESC1=C\CCCCC/N=N\N=C/1
InChIInChI=1S/C8H13N3/c1-2-4-6-8-10-11-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3-,9-7-,11-10-
InChIKeyXLGHJYKDOOYEBW-KLHHSJARSA-N
MW151.21 g/mol
LogP2.55
Rot. Bonds

About (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene

(1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene (PubChem CID 68503863) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene.

Molecular Properties

Compound Name(1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene
PubChem CID68503863
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name(1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene
SMILESC1=C\CCCCC/N=N\N=C/1
InChIInChI=1S/C8H13N3/c1-2-4-6-8-10-11-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3-,9-7-,11-10-
InChIKeyXLGHJYKDOOYEBW-KLHHSJARSA-N
XLogP2.55
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene?
The IUPAC name of (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene (CID 68503863) is (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene.
What is the SMILES notation for (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene?
The canonical SMILES for (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene is C1=C\CCCCC/N=N\N=C/1.
What is the InChIKey of (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene?
The InChIKey is XLGHJYKDOOYEBW-KLHHSJARSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-4-6-8-10-11-9-7-5-3-1/h3,5,7H,1-2,4,6,8H2/b5-3-,9-7-,11-10-.
What are the key properties of (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene?
(1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene has a molecular weight of 151.21 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9Z)-1,2,3-triazacycloundeca-2,9,11-triene is sourced from PubChem (CID 68503863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).