benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate

C14H8N6O5 — CID 10290998

IUPACbenzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
SMILESO=C(OC(=O)On1nnc2ccccc21)On1nnc2ccccc21
InChIInChI=1S/C14H8N6O5/c21-13(24-19-11-7-3-1-5-9(11)15-17-19)23-14(22)25-20-12-8-4-2-6-10(12)16-18-20/h1-8H
InChIKeyFRRCFLIIEYIPOO-UHFFFAOYSA-N
MW340.26 g/mol
LogP0.99
Rot. Bonds2

About benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate

benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate (PubChem CID 10290998) has the molecular formula C14H8N6O5 and a molecular weight of 340.26 g/mol. Its IUPAC name is benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate.

Molecular Properties

Compound Namebenzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
PubChem CID10290998
Molecular FormulaC14H8N6O5
Molecular Weight340.26 g/mol
Exact Mass340.06
IUPAC Namebenzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate
SMILESO=C(OC(=O)On1nnc2ccccc21)On1nnc2ccccc21
InChIInChI=1S/C14H8N6O5/c21-13(24-19-11-7-3-1-5-9(11)15-17-19)23-14(22)25-20-12-8-4-2-6-10(12)16-18-20/h1-8H
InChIKeyFRRCFLIIEYIPOO-UHFFFAOYSA-N
XLogP0.99
TPSA123.25 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.26
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

Analyze benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzotriazol-1-yl sulfanyl carbonate
CID 135280821
benzotriazol-1-yl 2-acetamidoacetate
CID 11322253
benzotriazol-1-yl 3-methylbutyl carbonate
CID 91380083
benzotriazol-1-yl 2-(methylamino)acetate
CID 58945313
bis(benzotriazol-1-yl) (2S)-2-benzylbutanedioate
CID 10718031
benzotriazol-1-yl 2-[4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl carbonate
CID 89412055
benzotriazol-1-yl 4-amino-1H-pyrrole-2-carboxylate
CID 142333112
benzotriazol-1-yl 4-chloro-1H-pyrrole-2-carboxylate
CID 87429519
methane;1-methoxybenzotriazole
CID 161160564
benzotriazol-1-yl (2S)-2-(dibenzylamino)propanoate
CID 11417792
benzotriazol-1-yl N-(3-amino-3-oxopropyl)-N-(1,3-dioxoisoindol-2-yl)carbamate
CID 155638403
benzotriazol-1-yl 1-methyl-4-(methylamino)pyrrole-2-carboxylate
CID 20700884

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate?
The IUPAC name of benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate (CID 10290998) is benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate.
What is the SMILES notation for benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate?
The canonical SMILES for benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate is O=C(OC(=O)On1nnc2ccccc21)On1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate?
The InChIKey is FRRCFLIIEYIPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N6O5/c21-13(24-19-11-7-3-1-5-9(11)15-17-19)23-14(22)25-20-12-8-4-2-6-10(12)16-18-20/h1-8H.
What are the key properties of benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate?
benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate has a molecular weight of 340.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl benzotriazol-1-yloxycarbonyl carbonate is sourced from PubChem (CID 10290998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).