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

C8H12N4O — CID 118119734

IUPAC(8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SMILESCCn1cnc2c1NC=NC[C@H]2O
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)/t6-/m1/s1
InChIKeyRJFJJQASHHXPGH-ZCFIWIBFSA-N
MW180.21 g/mol
LogP0.39
Rot. Bonds1

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

(8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol (PubChem CID 118119734) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.

Molecular Properties

Compound Name(8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
PubChem CID118119734
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name(8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
SMILESCCn1cnc2c1NC=NC[C@H]2O
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)/t6-/m1/s1
InChIKeyRJFJJQASHHXPGH-ZCFIWIBFSA-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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Related Compounds

(1R,2S,3R,5R)-3-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 503420
1-methyl-5,8-dihydro-4H-pyrazolo[5,4-d][1,3]diazepin-4-ol
CID 135747197
(5-cyclopropyl-3-ethylimidazol-4-yl)methanol
CID 172593125
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888
methyl 5-cyclobutyl-3-ethylimidazole-4-carboxylate
CID 172593208
(3-ethyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)methanol
CID 105439555
(3S,5S)-5-(4-ethyl-1,2,4-triazol-3-yl)pyrrolidin-3-ol
CID 104912641
3-ethyl-5,6,7,8-tetrahydro-4H-imidazo[4,5-d]azepine
CID 68672725
2-(6-amino-3,6-dihydropurin-9-yl)ethoxymethylphosphonic acid
CID 59986346
1-(2-chloro-9-ethylpurin-6-yl)piperidin-4-ol
CID 168921173
(3-ethyl-5-fluoroimidazol-4-yl)methanol
CID 172593332
3-ethyl-5-methylimidazol-4-amine
CID 62075163

Frequently Asked Questions

What is the IUPAC name of (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The IUPAC name of (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol (CID 118119734) is (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol.
What is the SMILES notation for (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The canonical SMILES for (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol is CCn1cnc2c1NC=NC[C@H]2O.
What is the InChIKey of (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
The InChIKey is RJFJJQASHHXPGH-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol?
(8R)-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 (8R)-3-ethyl-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol is sourced from PubChem (CID 118119734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).