1,6-dihydropyrazolo[4,5-b][1,4]diazepine

C6H6N4 — CID 91070181

IUPAC1,6-dihydropyrazolo[4,5-b][1,4]diazepine
SMILESC1=Nc2cn[nH]c2N=CC1
InChIInChI=1S/C6H6N4/c1-2-7-5-4-9-10-6(5)8-3-1/h2-4H,1H2,(H,9,10)
InChIKeyZYLGETOPJMBGLM-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.22
Rot. Bonds

About 1,6-dihydropyrazolo[4,5-b][1,4]diazepine

1,6-dihydropyrazolo[4,5-b][1,4]diazepine (PubChem CID 91070181) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 1,6-dihydropyrazolo[4,5-b][1,4]diazepine.

Molecular Properties

Compound Name1,6-dihydropyrazolo[4,5-b][1,4]diazepine
PubChem CID91070181
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name1,6-dihydropyrazolo[4,5-b][1,4]diazepine
SMILESC1=Nc2cn[nH]c2N=CC1
InChIInChI=1S/C6H6N4/c1-2-7-5-4-9-10-6(5)8-3-1/h2-4H,1H2,(H,9,10)
InChIKeyZYLGETOPJMBGLM-UHFFFAOYSA-N
XLogP1.22
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,6-dihydropyrazolo[4,5-b][1,4]diazepine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,6-dihydropyrazolo[4,5-b][1,4]diazepine?
The IUPAC name of 1,6-dihydropyrazolo[4,5-b][1,4]diazepine (CID 91070181) is 1,6-dihydropyrazolo[4,5-b][1,4]diazepine.
What is the SMILES notation for 1,6-dihydropyrazolo[4,5-b][1,4]diazepine?
The canonical SMILES for 1,6-dihydropyrazolo[4,5-b][1,4]diazepine is C1=Nc2cn[nH]c2N=CC1.
What is the InChIKey of 1,6-dihydropyrazolo[4,5-b][1,4]diazepine?
The InChIKey is ZYLGETOPJMBGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-2-7-5-4-9-10-6(5)8-3-1/h2-4H,1H2,(H,9,10).
What are the key properties of 1,6-dihydropyrazolo[4,5-b][1,4]diazepine?
1,6-dihydropyrazolo[4,5-b][1,4]diazepine has a molecular weight of 134.14 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dihydropyrazolo[4,5-b][1,4]diazepine is sourced from PubChem (CID 91070181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).