7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine

C10H14BrN3 — CID 59332894

IUPAC7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
SMILESCC1(C)CNc2ncc(Br)cc2CN1
InChIInChI=1S/C10H14BrN3/c1-10(2)6-13-9-7(4-14-10)3-8(11)5-12-9/h3,5,14H,4,6H2,1-2H3,(H,12,13)
InChIKeyRAUYPJIIGWGXAX-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.14
Rot. Bonds

About 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine

7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine (PubChem CID 59332894) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
PubChem CID59332894
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
SMILESCC1(C)CNc2ncc(Br)cc2CN1
InChIInChI=1S/C10H14BrN3/c1-10(2)6-13-9-7(4-14-10)3-8(11)5-12-9/h3,5,14H,4,6H2,1-2H3,(H,12,13)
InChIKeyRAUYPJIIGWGXAX-UHFFFAOYSA-N
XLogP2.14
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][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 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine?
The IUPAC name of 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine (CID 59332894) is 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine is CC1(C)CNc2ncc(Br)cc2CN1.
What is the InChIKey of 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine?
The InChIKey is RAUYPJIIGWGXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-10(2)6-13-9-7(4-14-10)3-8(11)5-12-9/h3,5,14H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine?
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine has a molecular weight of 256.15 g/mol, XLogP of 2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 59332894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).