(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone

C17H20N4O — CID 71860195

IUPAC(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2Cc3ccccc3N(C)CC2C)cn1
InChIInChI=1S/C17H20N4O/c1-12-8-19-15(9-18-12)17(22)21-11-14-6-4-5-7-16(14)20(3)10-13(21)2/h4-9,13H,10-11H2,1-3H3
InChIKeyVAHKEUBMGSDQGH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.27
Rot. Bonds1

About (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone

(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone (PubChem CID 71860195) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
PubChem CID71860195
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2Cc3ccccc3N(C)CC2C)cn1
InChIInChI=1S/C17H20N4O/c1-12-8-19-15(9-18-12)17(22)21-11-14-6-4-5-7-16(14)20(3)10-13(21)2/h4-9,13H,10-11H2,1-3H3
InChIKeyVAHKEUBMGSDQGH-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone (CID 71860195) is (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2Cc3ccccc3N(C)CC2C)cn1.
What is the InChIKey of (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone?
The InChIKey is VAHKEUBMGSDQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-8-19-15(9-18-12)17(22)21-11-14-6-4-5-7-16(14)20(3)10-13(21)2/h4-9,13H,10-11H2,1-3H3.
What are the key properties of (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone?
(1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 71860195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).