7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine

C16H17ClN6O2 — CID 143766032

IUPAC7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine
SMILESCN.Cc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1
InChIInChI=1S/C15H12ClN5O2.CH5N/c1-8-18-14(19-23-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13;1-2/h3-5,7H,6H2,1-2H3;2H2,1H3
InChIKeyVHIBYILVNNDGSK-UHFFFAOYSA-N
MW360.81 g/mol
LogP2.04
Rot. Bonds1

About 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine

7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine (PubChem CID 143766032) has the molecular formula C16H17ClN6O2 and a molecular weight of 360.81 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine.

Molecular Properties

Compound Name7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine
PubChem CID143766032
Molecular FormulaC16H17ClN6O2
Molecular Weight360.81 g/mol
Exact Mass360.11
IUPAC Name7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine
SMILESCN.Cc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1
InChIInChI=1S/C15H12ClN5O2.CH5N/c1-8-18-14(19-23-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13;1-2/h3-5,7H,6H2,1-2H3;2H2,1H3
InChIKeyVHIBYILVNNDGSK-UHFFFAOYSA-N
XLogP2.04
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.81
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine?
The IUPAC name of 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine (CID 143766032) is 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine.
What is the SMILES notation for 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine?
The canonical SMILES for 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine is CN.Cc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1.
What is the InChIKey of 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine?
The InChIKey is VHIBYILVNNDGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2.CH5N/c1-8-18-14(19-23-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13;1-2/h3-5,7H,6H2,1-2H3;2H2,1H3.
What are the key properties of 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine?
7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine has a molecular weight of 360.81 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one;methanamine is sourced from PubChem (CID 143766032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).