pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate

C12H11N5O2 — CID 2807425

IUPACpyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2nnc3ccnn3c2c1
InChIInChI=1S/C12H11N5O2/c1-16(2)12(18)19-8-3-4-9-10(7-8)17-11(15-14-9)5-6-13-17/h3-7H,1-2H3
InChIKeyCBEHDZXCPSGRMU-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.34
Rot. Bonds1

About pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate

pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate (PubChem CID 2807425) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Namepyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate
PubChem CID2807425
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC Namepyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1ccc2nnc3ccnn3c2c1
InChIInChI=1S/C12H11N5O2/c1-16(2)12(18)19-8-3-4-9-10(7-8)17-11(15-14-9)5-6-13-17/h3-7H,1-2H3
InChIKeyCBEHDZXCPSGRMU-UHFFFAOYSA-N
XLogP1.34
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate?
The IUPAC name of pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate (CID 2807425) is pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate.
What is the SMILES notation for pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate?
The canonical SMILES for pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate is CN(C)C(=O)Oc1ccc2nnc3ccnn3c2c1.
What is the InChIKey of pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate?
The InChIKey is CBEHDZXCPSGRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-16(2)12(18)19-8-3-4-9-10(7-8)17-11(15-14-9)5-6-13-17/h3-7H,1-2H3.
What are the key properties of pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate?
pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate has a molecular weight of 257.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[5,1-c][1,2,4]benzotriazin-8-yl N,N-dimethylcarbamate is sourced from PubChem (CID 2807425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).