2H-cyclodeca[d]triazole

C10H9N3 — CID 135280907

IUPAC2H-cyclodeca[d]triazole
SMILESc1ccccc2n[nH]nc2ccc1
InChIInChI=1S/C10H9N3/c1-2-4-6-8-10-9(7-5-3-1)11-13-12-10/h1-8H,(H,11,12,13)
InChIKeySNAJXLJVGAJWFF-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.08
Rot. Bonds

About 2H-cyclodeca[d]triazole

2H-cyclodeca[d]triazole (PubChem CID 135280907) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2H-cyclodeca[d]triazole.

Molecular Properties

Compound Name2H-cyclodeca[d]triazole
PubChem CID135280907
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2H-cyclodeca[d]triazole
SMILESc1ccccc2n[nH]nc2ccc1
InChIInChI=1S/C10H9N3/c1-2-4-6-8-10-9(7-5-3-1)11-13-12-10/h1-8H,(H,11,12,13)
InChIKeySNAJXLJVGAJWFF-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2H-benzotriazole;praseodymium
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2H-benzotriazole;iron
CID 67992309
2H-benzotriazole;1,1'-biphenyl
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benzenethiol;2H-benzotriazole
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benzene-1,4-diol;2H-benzotriazole
CID 160549478
CID 174734278
CID 174734278
azane;2H-benzotriazole;phosphorous acid
CID 175269675
2H-benzotriazole;butanedioic acid
CID 160818009
2H-benzotriazole;carbanide;uranium(4+);hexafluorophosphate
CID 175527851
trizinc;2H-benzotriazole;diphosphate
CID 159936185

Frequently Asked Questions

What is the IUPAC name of 2H-cyclodeca[d]triazole?
The IUPAC name of 2H-cyclodeca[d]triazole (CID 135280907) is 2H-cyclodeca[d]triazole.
What is the SMILES notation for 2H-cyclodeca[d]triazole?
The canonical SMILES for 2H-cyclodeca[d]triazole is c1ccccc2n[nH]nc2ccc1.
What is the InChIKey of 2H-cyclodeca[d]triazole?
The InChIKey is SNAJXLJVGAJWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-4-6-8-10-9(7-5-3-1)11-13-12-10/h1-8H,(H,11,12,13).
What are the key properties of 2H-cyclodeca[d]triazole?
2H-cyclodeca[d]triazole has a molecular weight of 171.20 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclodeca[d]triazole is sourced from PubChem (CID 135280907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).