cyclohexa-1,3-diene;2H-triazole

C8H11N3 — CID 162230820

IUPACcyclohexa-1,3-diene;2H-triazole
SMILESC1=CCCC=C1.c1cn[nH]n1
InChIInChI=1S/C6H8.C2H3N3/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-4H,5-6H2;1-2H,(H,3,4,5)
InChIKeyZVKAORZAWIUNDG-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.70
Rot. Bonds

About cyclohexa-1,3-diene;2H-triazole

cyclohexa-1,3-diene;2H-triazole (PubChem CID 162230820) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is cyclohexa-1,3-diene;2H-triazole.

Molecular Properties

Compound Namecyclohexa-1,3-diene;2H-triazole
PubChem CID162230820
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Namecyclohexa-1,3-diene;2H-triazole
SMILESC1=CCCC=C1.c1cn[nH]n1
InChIInChI=1S/C6H8.C2H3N3/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-4H,5-6H2;1-2H,(H,3,4,5)
InChIKeyZVKAORZAWIUNDG-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;2H-triazole?
The IUPAC name of cyclohexa-1,3-diene;2H-triazole (CID 162230820) is cyclohexa-1,3-diene;2H-triazole.
What is the SMILES notation for cyclohexa-1,3-diene;2H-triazole?
The canonical SMILES for cyclohexa-1,3-diene;2H-triazole is C1=CCCC=C1.c1cn[nH]n1.
What is the InChIKey of cyclohexa-1,3-diene;2H-triazole?
The InChIKey is ZVKAORZAWIUNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8.C2H3N3/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-4H,5-6H2;1-2H,(H,3,4,5).
What are the key properties of cyclohexa-1,3-diene;2H-triazole?
cyclohexa-1,3-diene;2H-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;2H-triazole is sourced from PubChem (CID 162230820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).