(6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C13H21N3O — CID 97474950

IUPAC(6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCOC[C@@H]1CN(C2CCC2)Cc2cncn2C1
InChIInChI=1S/C13H21N3O/c1-17-9-11-6-15(12-3-2-4-12)8-13-5-14-10-16(13)7-11/h5,10-12H,2-4,6-9H2,1H3/t11-/m1/s1
InChIKeyJOAKSVFAXPXOAP-LLVKDONJSA-N
MW235.33 g/mol
LogP1.51
Rot. Bonds3

About (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

(6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97474950) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97474950
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCOC[C@@H]1CN(C2CCC2)Cc2cncn2C1
InChIInChI=1S/C13H21N3O/c1-17-9-11-6-15(12-3-2-4-12)8-13-5-14-10-16(13)7-11/h5,10-12H,2-4,6-9H2,1H3/t11-/m1/s1
InChIKeyJOAKSVFAXPXOAP-LLVKDONJSA-N
XLogP1.51
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine with MolForge

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Related Compounds

[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-pyrimidin-2-ylmethanone
CID 97474798
6-(methoxymethyl)-8-(2-phenylmethoxyethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 131642905
[(6R)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97475308
1-[6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-thiophen-2-ylethanone
CID 131645342
(E)-1-[(6R)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 97474926
1-cyclobutyl-4-(methoxymethyl)piperidine
CID 131107152
2-(1-benzothiophen-3-yl)-1-[(6S)-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]ethanone
CID 97477420
6-(cyclopropylmethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
CID 131648823
6-(cyclobutylmethoxymethyl)-8-(cyclobutylmethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155832299
2-[(8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl)methoxy]-1-pyrrolidin-1-ylethanone
CID 131648100
2-[[(6R)-8-methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-6-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97487224
1-[(6S)-6-(cyclopropylmethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-methylsulfonylethanone
CID 97474682

Frequently Asked Questions

What is the IUPAC name of (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97474950) is (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is COC[C@@H]1CN(C2CCC2)Cc2cncn2C1.
What is the InChIKey of (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is JOAKSVFAXPXOAP-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-9-11-6-15(12-3-2-4-12)8-13-5-14-10-16(13)7-11/h5,10-12H,2-4,6-9H2,1H3/t11-/m1/s1.
What are the key properties of (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
(6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 235.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-cyclobutyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97474950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).