(4Z,6Z,8Z)-2H-cycloocta[d]triazole

C8H7N3 — CID 87781155

IUPAC(4Z,6Z,8Z)-2H-cycloocta[d]triazole
SMILESC1=C\C=C/c2n[nH]nc2\C=C/1
InChIInChI=1S/C8H7N3/c1-2-4-6-8-7(5-3-1)9-11-10-8/h1-6H,(H,9,10,11)
InChIKeyUNKNDMHCDKTHIV-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.40
Rot. Bonds

About (4Z,6Z,8Z)-2H-cycloocta[d]triazole

(4Z,6Z,8Z)-2H-cycloocta[d]triazole (PubChem CID 87781155) has the molecular formula C8H7N3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (4Z,6Z,8Z)-2H-cycloocta[d]triazole.

Molecular Properties

Compound Name(4Z,6Z,8Z)-2H-cycloocta[d]triazole
PubChem CID87781155
Molecular FormulaC8H7N3
Molecular Weight145.16 g/mol
Exact Mass145.06
IUPAC Name(4Z,6Z,8Z)-2H-cycloocta[d]triazole
SMILESC1=C\C=C/c2n[nH]nc2\C=C/1
InChIInChI=1S/C8H7N3/c1-2-4-6-8-7(5-3-1)9-11-10-8/h1-6H,(H,9,10,11)
InChIKeyUNKNDMHCDKTHIV-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,8Z)-2H-cycloocta[d]triazole?
The IUPAC name of (4Z,6Z,8Z)-2H-cycloocta[d]triazole (CID 87781155) is (4Z,6Z,8Z)-2H-cycloocta[d]triazole.
What is the SMILES notation for (4Z,6Z,8Z)-2H-cycloocta[d]triazole?
The canonical SMILES for (4Z,6Z,8Z)-2H-cycloocta[d]triazole is C1=C\C=C/c2n[nH]nc2\C=C/1.
What is the InChIKey of (4Z,6Z,8Z)-2H-cycloocta[d]triazole?
The InChIKey is UNKNDMHCDKTHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3/c1-2-4-6-8-7(5-3-1)9-11-10-8/h1-6H,(H,9,10,11).
What are the key properties of (4Z,6Z,8Z)-2H-cycloocta[d]triazole?
(4Z,6Z,8Z)-2H-cycloocta[d]triazole has a molecular weight of 145.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,8Z)-2H-cycloocta[d]triazole is sourced from PubChem (CID 87781155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).