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

C8H13N3 — CID 58398166

IUPAC3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
SMILESCn1cnc2c1CCNCC2
InChIInChI=1S/C8H13N3/c1-11-6-10-7-2-4-9-5-3-8(7)11/h6,9H,2-5H2,1H3
InChIKeyALUGRCQXDPUBQW-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.11
Rot. Bonds

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

3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine (PubChem CID 58398166) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine.

Molecular Properties

Compound Name3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
PubChem CID58398166
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
SMILESCn1cnc2c1CCNCC2
InChIInChI=1S/C8H13N3/c1-11-6-10-7-2-4-9-5-3-8(7)11/h6,9H,2-5H2,1H3
InChIKeyALUGRCQXDPUBQW-UHFFFAOYSA-N
XLogP0.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The IUPAC name of 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine (CID 58398166) is 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine.
What is the SMILES notation for 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The canonical SMILES for 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine is Cn1cnc2c1CCNCC2.
What is the InChIKey of 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
The InChIKey is ALUGRCQXDPUBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-6-10-7-2-4-9-5-3-8(7)11/h6,9H,2-5H2,1H3.
What are the key properties of 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine?
3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine has a molecular weight of 151.21 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine is sourced from PubChem (CID 58398166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).