3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

C8H12N4O — CID 10797450

IUPAC3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SMILESCCn1cnc2c1NC=NCC2O
InChIInChI=1S/C8H12N4O/c1-2-12-5-11-7-6(13)3-9-4-10-8(7)12/h4-6,13H,2-3H2,1H3,(H,9,10)
InChIKeyRJFJJQASHHXPGH-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.39
Rot. Bonds1

About 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol

3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol (PubChem CID 10797450) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.

Molecular Properties

Compound Name3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
PubChem CID10797450
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SMILESCCn1cnc2c1NC=NCC2O
InChIInChI=1S/C8H12N4O/c1-2-12-5-11-7-6(13)3-9-4-10-8(7)12/h4-6,13H,2-3H2,1H3,(H,9,10)
InChIKeyRJFJJQASHHXPGH-UHFFFAOYSA-N
XLogP0.39
TPSA62.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The IUPAC name of 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol (CID 10797450) is 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.
What is the SMILES notation for 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The canonical SMILES for 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol is CCn1cnc2c1NC=NCC2O.
What is the InChIKey of 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The InChIKey is RJFJJQASHHXPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-12-5-11-7-6(13)3-9-4-10-8(7)12/h4-6,13H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol has a molecular weight of 180.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol is sourced from PubChem (CID 10797450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).