pyrrolo[2,3-g][1,2]benzodiazepin-2-amine

C11H8N4 — CID 70067391

IUPACpyrrolo[2,3-g][1,2]benzodiazepin-2-amine
SMILESNc1cc2ccc3nncccc3c2n1
InChIInChI=1S/C11H8N4/c12-10-6-7-3-4-9-8(11(7)14-10)2-1-5-13-15-9/h1-6H,(H2,12,14)
InChIKeyQLDCBGDOXWCMNU-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.76
Rot. Bonds

About pyrrolo[2,3-g][1,2]benzodiazepin-2-amine

pyrrolo[2,3-g][1,2]benzodiazepin-2-amine (PubChem CID 70067391) has the molecular formula C11H8N4 and a molecular weight of 196.21 g/mol. Its IUPAC name is pyrrolo[2,3-g][1,2]benzodiazepin-2-amine.

Molecular Properties

Compound Namepyrrolo[2,3-g][1,2]benzodiazepin-2-amine
PubChem CID70067391
Molecular FormulaC11H8N4
Molecular Weight196.21 g/mol
Exact Mass196.07
IUPAC Namepyrrolo[2,3-g][1,2]benzodiazepin-2-amine
SMILESNc1cc2ccc3nncccc3c2n1
InChIInChI=1S/C11H8N4/c12-10-6-7-3-4-9-8(11(7)14-10)2-1-5-13-15-9/h1-6H,(H2,12,14)
InChIKeyQLDCBGDOXWCMNU-UHFFFAOYSA-N
XLogP1.76
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze pyrrolo[2,3-g][1,2]benzodiazepin-2-amine 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

Diazepinobenzimidazole
CID 67657169
[1,2,3]Triazolo[2,4]benzodiazepine
CID 70629358
4-Aminopyrrolobenzimidazole
CID 129752840
Methyldiazepinobenzimidazole
CID 129816798
4,5-Dihydropyrazolo[3,4-d]pyrido[2,3-b]azepine
CID 19699118
2-Prop-2-enylimidazo[4,5-e]indazole
CID 67759638
3H-pyrazino[2,3-b]indole
CID 67851473
Imidazo[4,5-g][1]benzazepine
CID 70405147
Imidazo[4,5-i][1,2,3]benzotriazepine
CID 70598126
5H-pyrido[2,3-b]indol-4-amine
CID 86754514
2,7,8,13,15-Pentazatetracyclo[9.7.0.03,9.012,16]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 87424495
3-Methyl-2-methylidenepyrrolo[2,3-b]pyridin-7-ium
CID 90857939

Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-g][1,2]benzodiazepin-2-amine?
The IUPAC name of pyrrolo[2,3-g][1,2]benzodiazepin-2-amine (CID 70067391) is pyrrolo[2,3-g][1,2]benzodiazepin-2-amine.
What is the SMILES notation for pyrrolo[2,3-g][1,2]benzodiazepin-2-amine?
The canonical SMILES for pyrrolo[2,3-g][1,2]benzodiazepin-2-amine is Nc1cc2ccc3nncccc3c2n1.
What is the InChIKey of pyrrolo[2,3-g][1,2]benzodiazepin-2-amine?
The InChIKey is QLDCBGDOXWCMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4/c12-10-6-7-3-4-9-8(11(7)14-10)2-1-5-13-15-9/h1-6H,(H2,12,14).
What are the key properties of pyrrolo[2,3-g][1,2]benzodiazepin-2-amine?
pyrrolo[2,3-g][1,2]benzodiazepin-2-amine has a molecular weight of 196.21 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-g][1,2]benzodiazepin-2-amine is sourced from PubChem (CID 70067391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).