3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine

C9H15N3 — CID 68672725

IUPAC3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
SMILESCCn1cnc2c1CCNCC2
InChIInChI=1S/C9H15N3/c1-2-12-7-11-8-3-5-10-6-4-9(8)12/h7,10H,2-6H2,1H3
InChIKeyVLFXOOPAPAFATG-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.59
Rot. Bonds1

About 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine

3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine (PubChem CID 68672725) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine.

Molecular Properties

Compound Name3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
PubChem CID68672725
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
SMILESCCn1cnc2c1CCNCC2
InChIInChI=1S/C9H15N3/c1-2-12-7-11-8-3-5-10-6-4-9(8)12/h7,10H,2-6H2,1H3
InChIKeyVLFXOOPAPAFATG-UHFFFAOYSA-N
XLogP0.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
CID 58398166
3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83670995
1-ethylspiro[6,7-dihydro-5H-imidazo[4,5-c]pyridine-4,4'-oxane]
CID 138040392
(3-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanol
CID 105439555
1-(3-propoxypropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 82947515
3-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propanamide
CID 64853982
N-tert-butyl-2-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)acetamide
CID 115357301
N-propyl-3-(4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propanamide
CID 64857671
1-(4,4,4-trifluorobutyl)-4,5,6,7-tetrahydrobenzimidazole
CID 116626288
4-ethyl-4-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 63126328
1-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-3-propan-2-ylurea
CID 3063049
1-[2-(3,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64854172

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The IUPAC name of 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine (CID 68672725) is 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine.
What is the SMILES notation for 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The canonical SMILES for 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine is CCn1cnc2c1CCNCC2.
What is the InChIKey of 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The InChIKey is VLFXOOPAPAFATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-12-7-11-8-3-5-10-6-4-9(8)12/h7,10H,2-6H2,1H3.
What are the key properties of 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine has a molecular weight of 165.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine is sourced from PubChem (CID 68672725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).