3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine

C7H11N3 — CID 91312492

IUPAC3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine
SMILESC1=NCC2=NCCN2CC1
InChIInChI=1S/C7H11N3/c1-2-8-6-7-9-3-5-10(7)4-1/h2H,1,3-6H2
InChIKeyIBGMADVNSLSIGO-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.17
Rot. Bonds

About 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine

3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine (PubChem CID 91312492) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine
PubChem CID91312492
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine
SMILESC1=NCC2=NCCN2CC1
InChIInChI=1S/C7H11N3/c1-2-8-6-7-9-3-5-10(7)4-1/h2H,1,3-6H2
InChIKeyIBGMADVNSLSIGO-UHFFFAOYSA-N
XLogP0.17
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine?
The IUPAC name of 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine (CID 91312492) is 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine.
What is the SMILES notation for 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine?
The canonical SMILES for 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine is C1=NCC2=NCCN2CC1.
What is the InChIKey of 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine?
The InChIKey is IBGMADVNSLSIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-8-6-7-9-3-5-10(7)4-1/h2H,1,3-6H2.
What are the key properties of 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine?
3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine has a molecular weight of 137.19 g/mol, XLogP of 0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,9-tetrahydro-2H-imidazo[1,2-a][1,4]diazepine is sourced from PubChem (CID 91312492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).