ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate

C10H15N3O2 — CID 131439688

IUPACethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate
SMILESCCOC(=O)C1CNCc2nccn2C1
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)8-5-11-6-9-12-3-4-13(9)7-8/h3-4,8,11H,2,5-7H2,1H3
InChIKeyBXDNUQDCGIMAKI-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.17
Rot. Bonds2

About ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate

ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate (PubChem CID 131439688) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate.

Molecular Properties

Compound Nameethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate
PubChem CID131439688
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate
SMILESCCOC(=O)C1CNCc2nccn2C1
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)8-5-11-6-9-12-3-4-13(9)7-8/h3-4,8,11H,2,5-7H2,1H3
InChIKeyBXDNUQDCGIMAKI-UHFFFAOYSA-N
XLogP0.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate with MolForge

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Related Compounds

ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate
CID 124708283
(6S)-6-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine
CID 97389285
diethyl (3S,5R)-piperidine-3,5-dicarboxylate
CID 66523120
ethyl 1-(1-methylimidazol-2-yl)piperidine-4-carboxylate
CID 62131854
ethyl 2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136838855
N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-ylmethyl)pyrazine-2-carboxamide
CID 121229452
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
2-(1-methylindazol-3-yl)-N-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl)acetamide
CID 166286682
ethyl 5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine-6-carboxylate
CID 136839792
ethyl 2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136840480
1-[[(6S)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 124554762
6-ethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 123331763

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate?
The IUPAC name of ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate (CID 131439688) is ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate.
What is the SMILES notation for ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate?
The canonical SMILES for ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate is CCOC(=O)C1CNCc2nccn2C1.
What is the InChIKey of ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate?
The InChIKey is BXDNUQDCGIMAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-10(14)8-5-11-6-9-12-3-4-13(9)7-8/h3-4,8,11H,2,5-7H2,1H3.
What are the key properties of ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate?
ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate is sourced from PubChem (CID 131439688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).