pyrazolo[3,4-i][1,2]benzodiazepine

C10H6N4 — CID 68801840

IUPACpyrazolo[3,4-i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1nncc12
InChIInChI=1S/C10H6N4/c1-2-7-3-4-9-8(6-12-13-9)10(7)14-11-5-1/h1-6H
InChIKeyQBCJSMSLBBCZGU-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.57
Rot. Bonds

About pyrazolo[3,4-i][1,2]benzodiazepine

pyrazolo[3,4-i][1,2]benzodiazepine (PubChem CID 68801840) has the molecular formula C10H6N4 and a molecular weight of 182.19 g/mol. Its IUPAC name is pyrazolo[3,4-i][1,2]benzodiazepine.

Molecular Properties

Compound Namepyrazolo[3,4-i][1,2]benzodiazepine
PubChem CID68801840
Molecular FormulaC10H6N4
Molecular Weight182.19 g/mol
Exact Mass182.06
IUPAC Namepyrazolo[3,4-i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1nncc12
InChIInChI=1S/C10H6N4/c1-2-7-3-4-9-8(6-12-13-9)10(7)14-11-5-1/h1-6H
InChIKeyQBCJSMSLBBCZGU-UHFFFAOYSA-N
XLogP1.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazobenzodiazepine
CID 66618719
Azolo[1,4]benzodiazepine
CID 66714092
Triazolobenzodiazepine
CID 66714960
Pyrazolobenzopyrazole
CID 67259474
Benzo-triazolodiazepine
CID 67658199
[1,2,3]Triazolo[1,4]benzodiazepine
CID 68422589
Pyrrolobenzodiazepine
CID 87072684
Azepinoindole
CID 88692169
Monochloro-triazolobenzodiazepine
CID 129719062
Triazolobenzazole
CID 129769043
Methylazepino indole
CID 129789857
4-Fluorotriazolo[4,5-i][1,2]benzodiazepine
CID 70585918

Frequently Asked Questions

What is the IUPAC name of pyrazolo[3,4-i][1,2]benzodiazepine?
The IUPAC name of pyrazolo[3,4-i][1,2]benzodiazepine (CID 68801840) is pyrazolo[3,4-i][1,2]benzodiazepine.
What is the SMILES notation for pyrazolo[3,4-i][1,2]benzodiazepine?
The canonical SMILES for pyrazolo[3,4-i][1,2]benzodiazepine is c1cnnc2c(c1)ccc1nncc12.
What is the InChIKey of pyrazolo[3,4-i][1,2]benzodiazepine?
The InChIKey is QBCJSMSLBBCZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4/c1-2-7-3-4-9-8(6-12-13-9)10(7)14-11-5-1/h1-6H.
What are the key properties of pyrazolo[3,4-i][1,2]benzodiazepine?
pyrazolo[3,4-i][1,2]benzodiazepine has a molecular weight of 182.19 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[3,4-i][1,2]benzodiazepine is sourced from PubChem (CID 68801840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).